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 147.9
[M+Na]+ 228.09950 153.9
[M+NH4]+ 223.14410 153.2
[M+K]+ 244.07344 148.2
[M-H]- 204.10300 148.1
[M+Na-2H]- 226.08495 153.5
[M]+ 205.10973 147.6
[M]- 205.11083 147.6
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.