CID 55290596

5-(aminomethyl)-5-methylpyrrolidin-2-one hydrochloride

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC1(CCC(=O)N1)CN
InChI
InChI=1S/C6H12N2O/c1-6(4-7)3-2-5(9)8-6/h2-4,7H2,1H3,(H,8,9)
InChIKey
YEMHTMAJVSSDKA-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-5-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

128.09496 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 126.1
[M+Na]+ 151.084178 133.5
[M-H]- 127.087684 126.6
[M+NH4]+ 146.128783 149.4
[M+K]+ 167.058118 131.6
[M+H-H2O]+ 111.092220 121.2
[M+HCOO]- 173.093161 147.5
[M+CH3COO]- 187.108811 169.0
[M+Na-2H]- 149.069626 130.9
[M]+ 128.09441142 121.0
[M]- 128.09550858 121.0
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