CID 54381

Brn 5525100

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1C2C1CC(C2)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C13H15NO2/c15-13(16)11-3-1-2-4-12(11)14-10-6-8-5-9(8)7-10/h1-4,8-10,14H,5-7H2,(H,15,16)
InChIKey
OLRMMEZILYICNH-UHFFFAOYSA-N
Compound name
2-(3-bicyclo[3.1.0]hexanylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 142.8
[M+Na]+ 240.09950 151.2
[M-H]- 216.10300 149.8
[M+NH4]+ 235.14410 158.3
[M+K]+ 256.07344 146.6
[M+H-H2O]+ 200.10754 137.2
[M+HCOO]- 262.10848 164.6
[M+CH3COO]- 276.12413 191.3
[M+Na-2H]- 238.08495 146.9
[M]+ 217.10973 143.3
[M]- 217.11083 143.3
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.