CID 21718835

1-(2-hydroxypropyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC(CN1CCCC1=O)O
InChI
InChI=1S/C7H13NO2/c1-6(9)5-8-4-2-3-7(8)10/h6,9H,2-5H2,1H3
InChIKey
BWUPRIKMZACLJO-UHFFFAOYSA-N
Compound name
1-(2-hydroxypropyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

143.09464 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 131.1
[M+Na]+ 166.083858 137.7
[M-H]- 142.087364 131.7
[M+NH4]+ 161.128463 152.3
[M+K]+ 182.057798 136.9
[M+H-H2O]+ 126.091900 125.5
[M+HCOO]- 188.092841 150.9
[M+CH3COO]- 202.108491 171.2
[M+Na-2H]- 164.069306 133.6
[M]+ 143.09409142 128.6
[M]- 143.09518858 128.6
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