CID 130665910

3-(5-methylpyridin-3-yl)propanamide

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC1=CC(=CN=C1)CCC(=O)N
InChI
InChI=1S/C9H12N2O/c1-7-4-8(6-11-5-7)2-3-9(10)12/h4-6H,2-3H2,1H3,(H2,10,12)
InChIKey
QZZSQQPBUHLWHE-UHFFFAOYSA-N
Compound name
3-(5-methylpyridin-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

164.09496 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 135.1
[M+Na]+ 187.08418 142.6
[M-H]- 163.08768 137.0
[M+NH4]+ 182.12878 154.0
[M+K]+ 203.05812 140.6
[M+H-H2O]+ 147.09222 128.4
[M+HCOO]- 209.09316 158.2
[M+CH3COO]- 223.10881 181.2
[M+Na-2H]- 185.06963 140.7
[M]+ 164.09441 134.2
[M]- 164.09551 134.2
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