CID 10820581

2-amino-1-(pyridin-3-yl)ethan-1-one dihydrochloride

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1=CC(=CN=C1)C(=O)CN
InChI
InChI=1S/C7H8N2O/c8-4-7(10)6-2-1-3-9-5-6/h1-3,5H,4,8H2
InChIKey
RGUUBRUFWMBQOW-UHFFFAOYSA-N
Compound name
2-amino-1-pyridin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

136.06366 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 126.0
[M+Na]+ 159.05288 133.5
[M-H]- 135.05638 128.0
[M+NH4]+ 154.09748 145.7
[M+K]+ 175.02682 131.9
[M+H-H2O]+ 119.06092 119.5
[M+HCOO]- 181.06186 149.8
[M+CH3COO]- 195.07751 174.0
[M+Na-2H]- 157.03833 133.5
[M]+ 136.06311 124.1
[M]- 136.06421 124.1
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