CID 63138518

3-methylpyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC1(CCNC1)C(=O)N
InChI
InChI=1S/C6H12N2O/c1-6(5(7)9)2-3-8-4-6/h8H,2-4H2,1H3,(H2,7,9)
InChIKey
CIIKWJNFAZBRBN-UHFFFAOYSA-N
Compound name
3-methylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

128.09496 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 127.5
[M+Na]+ 151.08418 133.6
[M-H]- 127.08768 127.6
[M+NH4]+ 146.12878 150.4
[M+K]+ 167.05812 132.3
[M+H-H2O]+ 111.09222 122.3
[M+HCOO]- 173.09316 147.8
[M+CH3COO]- 187.10881 168.7
[M+Na-2H]- 149.06963 131.6
[M]+ 128.09441 121.2
[M]- 128.09551 121.2
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