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

27
Patents

114.079315 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.086591 122.7
[M+Na]+ 137.068533 129.5
[M-H]- 113.072039 123.0
[M+NH4]+ 132.113138 144.5
[M+K]+ 153.042473 127.8
[M+H-H2O]+ 97.076575 117.0
[M+HCOO]- 159.077516 144.3
[M+CH3COO]- 173.093166 166.4
[M+Na-2H]- 135.053981 126.8
[M]+ 114.07876642 116.9
[M]- 114.07986358 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