CID 63310536

1343249-22-8

Structural Information

Molecular Formula
C21H21NO4
SMILES
CC1(CCN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H21NO4/c1-21(19(23)24)10-11-22(13-21)20(25)26-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18H,10-13H2,1H3,(H,23,24)
InChIKey
NGTKYDCBAVGDLQ-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-methylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14706 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.154336 184.8
[M+Na]+ 374.136278 191.6
[M-H]- 350.139784 190.9
[M+NH4]+ 369.180883 203.0
[M+K]+ 390.110218 187.1
[M+H-H2O]+ 334.144320 178.0
[M+HCOO]- 396.145261 201.3
[M+CH3COO]- 410.160911 194.9
[M+Na-2H]- 372.121726 184.0
[M]+ 351.14651142 185.7
[M]- 351.14760858 185.7
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.