CID 53848115

Ec 639-259-5

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CC1=CC(=O)N(C(=C1)O)CCCN(C)C
InChI
InChI=1S/C11H18N2O2/c1-9-7-10(14)13(11(15)8-9)6-4-5-12(2)3/h7-8,14H,4-6H2,1-3H3
InChIKey
GNVCLEFKUUWHPJ-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-6-hydroxy-4-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

210.13683 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.144106 146.5
[M+Na]+ 233.126048 155.0
[M-H]- 209.129554 149.4
[M+NH4]+ 228.170653 164.4
[M+K]+ 249.099988 153.3
[M+H-H2O]+ 193.134090 139.7
[M+HCOO]- 255.135031 169.8
[M+CH3COO]- 269.150681 192.5
[M+Na-2H]- 231.111496 150.6
[M]+ 210.13628142 149.6
[M]- 210.13737858 149.6
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