CID 22690060

3-amino-n-(6-methylpyridin-2-yl)propanamide dihydrochloride

Structural Information

Molecular Formula
C9H13N3O
SMILES
CC1=NC(=CC=C1)NC(=O)CCN
InChI
InChI=1S/C9H13N3O/c1-7-3-2-4-8(11-7)12-9(13)5-6-10/h2-4H,5-6,10H2,1H3,(H,11,12,13)
InChIKey
YWJXVJLAWFNQDZ-UHFFFAOYSA-N
Compound name
3-amino-N-(6-methylpyridin-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 139.3
[M+Na]+ 202.09509 146.0
[M-H]- 178.09859 141.2
[M+NH4]+ 197.13969 157.3
[M+K]+ 218.06903 143.9
[M+H-H2O]+ 162.10313 132.1
[M+HCOO]- 224.10407 163.4
[M+CH3COO]- 238.11972 185.6
[M+Na-2H]- 200.08054 145.1
[M]+ 179.10532 137.6
[M]- 179.10642 137.6
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

No patent data available for this compound.