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]+ 140.10700 131.4
[M+Na]+ 162.08894 141.1
[M-H]- 138.09244 137.6
[M+NH4]+ 157.13354 148.8
[M+K]+ 178.06288 138.5
[M+H-H2O]+ 122.09698 125.0
[M+HCOO]- 184.09792 153.3
[M+CH3COO]- 198.11357 177.3
[M+Na-2H]- 160.07439 134.7
[M]+ 139.09917 131.8
[M]- 139.10027 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.