CID 18377521

3-(aminomethyl)oxolan-2-one hydrochloride

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1COC(=O)C1CN
InChI
InChI=1S/C5H9NO2/c6-3-4-1-2-8-5(4)7/h4H,1-3,6H2
InChIKey
KACIABQWTKOKIS-UHFFFAOYSA-N
Compound name
3-(aminomethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

115.06333 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 121.5
[M+Na]+ 138.05255 130.6
[M+NH4]+ 133.09715 129.7
[M+K]+ 154.02649 128.2
[M-H]- 114.05605 123.8
[M+Na-2H]- 136.03800 125.0
[M]+ 115.06278 123.1
[M]- 115.06388 123.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe