CID 19757933

4-(aminomethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C5H10N2O
SMILES
C1C(CNC1=O)CN
InChI
InChI=1S/C5H10N2O/c6-2-4-1-5(8)7-3-4/h4H,1-3,6H2,(H,7,8)
InChIKey
TXFBWVRKVAEOPA-UHFFFAOYSA-N
Compound name
4-(aminomethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

114.079315 Da
Monoisotopic Mass

-1.4
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

literature stripe

Patent stripe

patents stripe