CID 13011399

Bv1g5bfa7z

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC1=C(C(=O)C=CN1C)OC
InChI
InChI=1S/C8H11NO2/c1-6-8(11-3)7(10)4-5-9(6)2/h4-5H,1-3H3
InChIKey
RUHDPEYOMXHWPM-UHFFFAOYSA-N
Compound name
3-methoxy-1,2-dimethylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

153.07898 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 127.1
[M+Na]+ 176.068198 138.1
[M-H]- 152.071704 130.6
[M+NH4]+ 171.112803 147.9
[M+K]+ 192.042138 136.9
[M+H-H2O]+ 136.076240 121.4
[M+HCOO]- 198.077181 151.5
[M+CH3COO]- 212.092831 177.6
[M+Na-2H]- 174.053646 134.0
[M]+ 153.07843142 130.7
[M]- 153.07952858 130.7
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