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]+ 352.15434 180.1
[M+Na]+ 374.13628 189.5
[M-H]- 350.13978 188.0
[M+NH4]+ 369.18088 195.0
[M+K]+ 390.11022 185.2
[M+H-H2O]+ 334.14432 175.2
[M+HCOO]- 396.14526 198.7
[M+CH3COO]- 410.16091 215.1
[M+Na-2H]- 372.12173 184.2
[M]+ 351.14651 186.2
[M]- 351.14761 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.