CID 62389127

1-(benzylamino)cyclobutane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CC(C1)(C(=O)O)NCC2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c14-11(15)12(7-4-8-12)13-9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H,14,15)
InChIKey
WFOKSFKVIBDSAF-UHFFFAOYSA-N
Compound name
1-(benzylamino)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 146.7
[M+Na]+ 228.09950 150.5
[M-H]- 204.10300 151.5
[M+NH4]+ 223.14410 159.5
[M+K]+ 244.07344 151.2
[M+H-H2O]+ 188.10754 135.3
[M+HCOO]- 250.10848 167.4
[M+CH3COO]- 264.12413 187.6
[M+Na-2H]- 226.08495 152.2
[M]+ 205.10973 152.5
[M]- 205.11083 152.5
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.