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

114
Patents

168.08987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 133.9
[M+Na]+ 191.07909 143.5
[M-H]- 167.08259 135.3
[M+NH4]+ 186.12369 152.6
[M+K]+ 207.05303 140.8
[M+H-H2O]+ 151.08713 127.8
[M+HCOO]- 213.08807 157.0
[M+CH3COO]- 227.10372 179.3
[M+Na-2H]- 189.06454 139.2
[M]+ 168.08932 133.6
[M]- 168.09042 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