CID 56966857

1372127-42-8

Structural Information

Molecular Formula
C9H13N3O
SMILES
CC1=CC(=CC(=N1)N)C(=O)N(C)C
InChI
InChI=1S/C9H13N3O/c1-6-4-7(5-8(10)11-6)9(13)12(2)3/h4-5H,1-3H3,(H2,10,11)
InChIKey
QLMUMHYEALQXDG-UHFFFAOYSA-N
Compound name
2-amino-N,N,6-trimethylpyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

179.10587 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.113146 139.1
[M+Na]+ 202.095088 147.0
[M-H]- 178.098594 143.0
[M+NH4]+ 197.139693 158.2
[M+K]+ 218.069028 146.4
[M+H-H2O]+ 162.103130 132.1
[M+HCOO]- 224.104071 163.8
[M+CH3COO]- 238.119721 190.2
[M+Na-2H]- 200.080536 143.6
[M]+ 179.10532142 139.1
[M]- 179.10641858 139.1
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