CID 86313677

2550997-35-6

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1[C@@H]2[C@]1(CN(C2)CC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C13H15NO2/c15-12(16)13-6-11(13)8-14(9-13)7-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)/t11-,13-/m0/s1
InChIKey
COCNBXQWBCBUHL-AAEUAGOBSA-N
Compound name
(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 150.2
[M+Na]+ 240.09950 159.5
[M-H]- 216.10300 155.8
[M+NH4]+ 235.14410 166.4
[M+K]+ 256.07344 155.6
[M+H-H2O]+ 200.10754 144.3
[M+HCOO]- 262.10848 169.4
[M+CH3COO]- 276.12413 162.3
[M+Na-2H]- 238.08495 154.8
[M]+ 217.10973 151.7
[M]- 217.11083 151.7
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.