CID 1515515

2059917-65-4

Structural Information

Molecular Formula
C15H19NO2
SMILES
C1C[C@H]2CN(C[C@]2(C1)C(=O)O)CC3=CC=CC=C3
InChI
InChI=1S/C15H19NO2/c17-14(18)15-8-4-7-13(15)10-16(11-15)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,18)/t13-,15-/m0/s1
InChIKey
NRQNCWGEIKPPEQ-ZFWWWQNUSA-N
Compound name
(3aR,6aR)-2-benzyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14887 159.0
[M+Na]+ 268.13081 164.7
[M-H]- 244.13431 163.5
[M+NH4]+ 263.17541 180.3
[M+K]+ 284.10475 160.9
[M+H-H2O]+ 228.13885 152.5
[M+HCOO]- 290.13979 176.9
[M+CH3COO]- 304.15544 170.2
[M+Na-2H]- 266.11626 159.8
[M]+ 245.14104 155.4
[M]- 245.14214 155.4
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.