CID 12085065

676371-66-7

Structural Information

Molecular Formula
C21H19NO4
SMILES
C1C2(CC1(C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C21H19NO4/c23-18(24)20-10-21(11-20,12-20)22-19(25)26-9-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,22,25)(H,23,24)
InChIKey
XMTSSOBUBCTQKW-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1314 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 197.2
[M+Na]+ 372.12062 198.6
[M-H]- 348.12412 202.2
[M+NH4]+ 367.16522 199.1
[M+K]+ 388.09456 202.6
[M+H-H2O]+ 332.12866 180.6
[M+HCOO]- 394.12960 206.3
[M+CH3COO]- 408.14525 232.4
[M+Na-2H]- 370.10607 199.2
[M]+ 349.13085 221.9
[M]- 349.13195 221.9
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.