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]+ 140.10700 132.1
[M+Na]+ 162.08894 143.4
[M+NH4]+ 157.13354 141.1
[M+K]+ 178.06288 140.7
[M-H]- 138.09244 140.4
[M+Na-2H]- 160.07439 139.3
[M]+ 139.09917 136.9
[M]- 139.10027 136.9
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.