CID 15774823

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

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(=O)CN1CCCC1
InChI
InChI=1S/C7H13NO/c1-7(9)6-8-4-2-3-5-8/h2-6H2,1H3
InChIKey
YZZYFRBPGIXHPD-UHFFFAOYSA-N
Compound name
1-pyrrolidin-1-ylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

127.09972 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 128.1
[M+Na]+ 150.08894 134.2
[M-H]- 126.09244 129.7
[M+NH4]+ 145.13354 150.4
[M+K]+ 166.06288 133.9
[M+H-H2O]+ 110.09698 122.1
[M+HCOO]- 172.09792 149.2
[M+CH3COO]- 186.11357 170.8
[M+Na-2H]- 148.07439 131.7
[M]+ 127.09917 125.6
[M]- 127.10027 125.6
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