CID 566744

1-(3-hydroxypropyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CC(=O)N(C1)CCCO
InChI
InChI=1S/C7H13NO2/c9-6-2-5-8-4-1-3-7(8)10/h9H,1-6H2
InChIKey
CVDGNRZPDAXOQO-UHFFFAOYSA-N
Compound name
1-(3-hydroxypropyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1578
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 130.7
[M+Na]+ 166.083858 137.5
[M-H]- 142.087364 131.1
[M+NH4]+ 161.128463 151.9
[M+K]+ 182.057798 136.2
[M+H-H2O]+ 126.091900 125.0
[M+HCOO]- 188.092841 151.5
[M+CH3COO]- 202.108491 170.4
[M+Na-2H]- 164.069306 134.4
[M]+ 143.09409142 128.8
[M]- 143.09518858 128.8
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