CID 54676431

3-butyl-4-hydroxy-1-methylquinolin-2(1h)-one

Structural Information

Molecular Formula
C14H17NO2
SMILES
CCCCC1=C(C2=CC=CC=C2N(C1=O)C)O
InChI
InChI=1S/C14H17NO2/c1-3-4-7-11-13(16)10-8-5-6-9-12(10)15(2)14(11)17/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKey
UGSGKYKRLRQHBS-UHFFFAOYSA-N
Compound name
3-butyl-4-hydroxy-1-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

231.12593 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.133206 151.2
[M+Na]+ 254.115148 161.4
[M-H]- 230.118654 153.7
[M+NH4]+ 249.159753 169.2
[M+K]+ 270.089088 157.0
[M+H-H2O]+ 214.123190 144.5
[M+HCOO]- 276.124131 171.7
[M+CH3COO]- 290.139781 191.8
[M+Na-2H]- 252.100596 156.7
[M]+ 231.12538142 154.1
[M]- 231.12647858 154.1
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