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

36
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 126.1
[M+Na]+ 151.08418 133.5
[M-H]- 127.08768 126.6
[M+NH4]+ 146.12878 149.4
[M+K]+ 167.05812 131.6
[M+H-H2O]+ 111.09222 121.2
[M+HCOO]- 173.09316 147.5
[M+CH3COO]- 187.10881 169.0
[M+Na-2H]- 149.06963 130.9
[M]+ 128.09441 121.0
[M]- 128.09551 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