CID 53417265

3-(cyclopropylmethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CC1CC2CCNC2=O
InChI
InChI=1S/C8H13NO/c10-8-7(3-4-9-8)5-6-1-2-6/h6-7H,1-5H2,(H,9,10)
InChIKey
AKKDGRKHDGZCRN-UHFFFAOYSA-N
Compound name
3-(cyclopropylmethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 131.0
[M+Na]+ 162.088938 139.5
[M-H]- 138.092444 135.6
[M+NH4]+ 157.133543 147.4
[M+K]+ 178.062878 136.1
[M+H-H2O]+ 122.096980 124.6
[M+HCOO]- 184.097921 151.6
[M+CH3COO]- 198.113571 173.7
[M+Na-2H]- 160.074386 134.6
[M]+ 139.09917142 129.3
[M]- 139.10026858 129.3
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.