CID 91662860

1-[3-(aminomethyl)phenyl]azetidin-2-one hydrochloride

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CN(C1=O)C2=CC=CC(=C2)CN
InChI
InChI=1S/C10H12N2O/c11-7-8-2-1-3-9(6-8)12-5-4-10(12)13/h1-3,6H,4-5,7,11H2
InChIKey
AAXLWSIVUGGLSQ-UHFFFAOYSA-N
Compound name
1-[3-(aminomethyl)phenyl]azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.09496 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 136.1
[M+Na]+ 199.08418 142.7
[M-H]- 175.08768 141.0
[M+NH4]+ 194.12878 148.1
[M+K]+ 215.05812 143.1
[M+H-H2O]+ 159.09222 123.5
[M+HCOO]- 221.09316 158.0
[M+CH3COO]- 235.10881 186.0
[M+Na-2H]- 197.06963 141.2
[M]+ 176.09441 142.4
[M]- 176.09551 142.4
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.