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

27
Patents

128.09496 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 126.9
[M+Na]+ 151.08418 135.2
[M+NH4]+ 146.12878 135.8
[M+K]+ 167.05812 130.7
[M-H]- 127.08768 127.0
[M+Na-2H]- 149.06963 131.6
[M]+ 128.09441 127.8
[M]- 128.09551 127.8
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