CID 166000917

1-{[(9h-fluoren-9-yl)methoxy]carbonyl}-4,4-dimethylazetidine-2-carboxylic acid

Structural Information

Molecular Formula
C21H21NO4
SMILES
CC1(CC(N1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O)C
InChI
InChI=1S/C21H21NO4/c1-21(2)11-18(19(23)24)22(21)20(25)26-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-18H,11-12H2,1-2H3,(H,23,24)
InChIKey
GXKVQQNVLGSSPW-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylazetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.154336 184.9
[M+Na]+ 374.136278 191.3
[M-H]- 350.139784 190.8
[M+NH4]+ 369.180883 195.2
[M+K]+ 390.110218 190.1
[M+H-H2O]+ 334.144320 172.8
[M+HCOO]- 396.145261 200.0
[M+CH3COO]- 410.160911 214.6
[M+Na-2H]- 372.121726 185.1
[M]+ 351.14651142 196.1
[M]- 351.14760858 196.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.