CID 40468298

1274904-54-9

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1C(CC1NCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H15NO2/c14-12(15)10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2,(H,14,15)
InChIKey
AEZROTIRNKHKAU-UHFFFAOYSA-N
Compound name
3-(benzylamino)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 144.6
[M+Na]+ 228.09950 148.4
[M-H]- 204.10300 149.3
[M+NH4]+ 223.14410 155.7
[M+K]+ 244.07344 149.0
[M+H-H2O]+ 188.10754 132.3
[M+HCOO]- 250.10848 165.3
[M+CH3COO]- 264.12413 189.2
[M+Na-2H]- 226.08495 148.5
[M]+ 205.10973 150.5
[M]- 205.11083 150.5
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.