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 131.0
[M+Na]+ 162.08894 139.5
[M-H]- 138.09244 135.6
[M+NH4]+ 157.13354 147.4
[M+K]+ 178.06288 136.1
[M+H-H2O]+ 122.09698 124.6
[M+HCOO]- 184.09792 151.6
[M+CH3COO]- 198.11357 173.7
[M+Na-2H]- 160.07439 134.6
[M]+ 139.09917 129.3
[M]- 139.10027 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.