CID 71755792

1-cyclopropyl-4-methylpyrrolidin-3-one

Structural Information

Molecular Formula
C8H13NO
SMILES
CC1CN(CC1=O)C2CC2
InChI
InChI=1S/C8H13NO/c1-6-4-9(5-8(6)10)7-2-3-7/h6-7H,2-5H2,1H3
InChIKey
NZQACTFKFSQQDY-UHFFFAOYSA-N
Compound name
1-cyclopropyl-4-methylpyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 131.4
[M+Na]+ 162.088938 141.1
[M-H]- 138.092444 137.6
[M+NH4]+ 157.133543 148.8
[M+K]+ 178.062878 138.5
[M+H-H2O]+ 122.096980 125.0
[M+HCOO]- 184.097921 153.3
[M+CH3COO]- 198.113571 177.3
[M+Na-2H]- 160.074386 134.7
[M]+ 139.09917142 131.8
[M]- 139.10026858 131.8
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

No patent data available for this compound.