CID 4986264

885951-75-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.154336 180.1
[M+Na]+ 374.136278 189.5
[M-H]- 350.139784 188.0
[M+NH4]+ 369.180883 195.0
[M+K]+ 390.110218 185.2
[M+H-H2O]+ 334.144320 175.2
[M+HCOO]- 396.145261 198.7
[M+CH3COO]- 410.160911 215.1
[M+Na-2H]- 372.121726 184.2
[M]+ 351.14651142 186.2
[M]- 351.14760858 186.2
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.