CID 89580666

1438382-15-0

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CC1=CC(=C(C(=O)N1)CN)OC
InChI
InChI=1S/C8H12N2O2/c1-5-3-7(12-2)6(4-9)8(11)10-5/h3H,4,9H2,1-2H3,(H,10,11)
InChIKey
DOEQLKDKJVHZND-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

168.08987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 133.9
[M+Na]+ 191.079088 143.5
[M-H]- 167.082594 135.3
[M+NH4]+ 186.123693 152.6
[M+K]+ 207.053028 140.8
[M+H-H2O]+ 151.087130 127.8
[M+HCOO]- 213.088071 157.0
[M+CH3COO]- 227.103721 179.3
[M+Na-2H]- 189.064536 139.2
[M]+ 168.08932142 133.6
[M]- 168.09041858 133.6
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