CID 45085262

1-(pyrrolidin-2-yl)propan-2-one

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(=O)CC1CCCN1
InChI
InChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3
InChIKey
ZAJDAGLJUKMNJL-UHFFFAOYSA-N
Compound name
1-pyrrolidin-2-ylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

127.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 129.0
[M+Na]+ 150.08894 137.9
[M+NH4]+ 145.13354 137.0
[M+K]+ 166.06288 134.7
[M-H]- 126.09244 128.8
[M+Na-2H]- 148.07439 132.5
[M]+ 127.09917 129.8
[M]- 127.10027 129.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe