CID 23569318

70449-23-9

Structural Information

Molecular Formula
C7H10N2O
SMILES
CN1C=C(C=CC1=O)CN
InChI
InChI=1S/C7H10N2O/c1-9-5-6(4-8)2-3-7(9)10/h2-3,5H,4,8H2,1H3
InChIKey
VEJGZLGNXFRQBP-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

138.07932 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 125.6
[M+Na]+ 161.068538 135.2
[M-H]- 137.072044 128.2
[M+NH4]+ 156.113143 146.0
[M+K]+ 177.042478 133.2
[M+H-H2O]+ 121.076580 119.5
[M+HCOO]- 183.077521 150.4
[M+CH3COO]- 197.093171 175.5
[M+Na-2H]- 159.053986 132.8
[M]+ 138.07877142 125.1
[M]- 138.07986858 125.1
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