CID 9855462

5-(aminomethyl)oxolan-2-one hydrochloride

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CC(=O)OC1CN
InChI
InChI=1S/C5H9NO2/c6-3-4-1-2-5(7)8-4/h4H,1-3,6H2
InChIKey
XJNSEWOBVXGVCK-UHFFFAOYSA-N
Compound name
5-(aminomethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

115.06333 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 120.7
[M+Na]+ 138.05255 127.9
[M-H]- 114.05605 124.4
[M+NH4]+ 133.09715 143.2
[M+K]+ 154.02649 128.5
[M+H-H2O]+ 98.060590 115.9
[M+HCOO]- 160.06153 144.4
[M+CH3COO]- 174.07718 168.3
[M+Na-2H]- 136.03800 126.4
[M]+ 115.06278 118.3
[M]- 115.06388 118.3
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