CID 23510988

1-(3-hydroxypropyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1=CC(=O)N(C=C1)CCCO
InChI
InChI=1S/C8H11NO2/c10-7-3-6-9-5-2-1-4-8(9)11/h1-2,4-5,10H,3,6-7H2
InChIKey
QLAGPCJUAFNZGR-UHFFFAOYSA-N
Compound name
1-(3-hydroxypropyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

153.07898 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 129.4
[M+Na]+ 176.068198 138.0
[M-H]- 152.071704 130.6
[M+NH4]+ 171.112803 148.7
[M+K]+ 192.042138 135.8
[M+H-H2O]+ 136.076240 123.3
[M+HCOO]- 198.077181 152.2
[M+CH3COO]- 212.092831 172.6
[M+Na-2H]- 174.053646 137.0
[M]+ 153.07843142 130.2
[M]- 153.07952858 130.2
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

patents stripe