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]+ 350.138676 197.2
[M+Na]+ 372.120618 198.6
[M-H]- 348.124124 202.2
[M+NH4]+ 367.165223 199.1
[M+K]+ 388.094558 202.6
[M+H-H2O]+ 332.128660 180.6
[M+HCOO]- 394.129601 206.3
[M+CH3COO]- 408.145251 232.4
[M+Na-2H]- 370.106066 199.2
[M]+ 349.13085142 221.9
[M]- 349.13194858 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.