CID 19694998

3-(aminomethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C5H10N2O
SMILES
C1CNC(=O)C1CN
InChI
InChI=1S/C5H10N2O/c6-3-4-1-2-7-5(4)8/h4H,1-3,6H2,(H,7,8)
InChIKey
DMJZQILWVRAKET-UHFFFAOYSA-N
Compound name
3-(aminomethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

114.079315 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.08659 122.7
[M+Na]+ 137.06853 129.5
[M-H]- 113.07204 123.0
[M+NH4]+ 132.11314 144.5
[M+K]+ 153.04247 127.8
[M+H-H2O]+ 97.076575 117.0
[M+HCOO]- 159.07752 144.3
[M+CH3COO]- 173.09317 166.4
[M+Na-2H]- 135.05398 126.8
[M]+ 114.07877 116.9
[M]- 114.07986 116.9
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

patents stripe