CID 20483600

857429-62-0

Structural Information

Molecular Formula
C7H10N2O
SMILES
CC1=CC=C(C(=O)N1)CN
InChI
InChI=1S/C7H10N2O/c1-5-2-3-6(4-8)7(10)9-5/h2-3H,4,8H2,1H3,(H,9,10)
InChIKey
JQXJUWBJDXAIEA-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

138.07932 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 126.4
[M+Na]+ 161.068538 135.7
[M-H]- 137.072044 127.6
[M+NH4]+ 156.113143 146.1
[M+K]+ 177.042478 132.6
[M+H-H2O]+ 121.076580 120.6
[M+HCOO]- 183.077521 149.7
[M+CH3COO]- 197.093171 172.9
[M+Na-2H]- 159.053986 133.1
[M]+ 138.07877142 124.0
[M]- 138.07986858 124.0
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