CID 20786326

N-(4-methylpyridin-3-yl)acetamide

Structural Information

Molecular Formula
C8H10N2O
SMILES
CC1=C(C=NC=C1)NC(=O)C
InChI
InChI=1S/C8H10N2O/c1-6-3-4-9-5-8(6)10-7(2)11/h3-5H,1-2H3,(H,10,11)
InChIKey
WRPYDRDMRXJIJA-UHFFFAOYSA-N
Compound name
N-(4-methyl-3-pyridinyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

150.07932 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 130.1
[M+Na]+ 173.068538 138.2
[M-H]- 149.072044 132.8
[M+NH4]+ 168.113143 150.0
[M+K]+ 189.042478 136.7
[M+H-H2O]+ 133.076580 123.6
[M+HCOO]- 195.077521 154.2
[M+CH3COO]- 209.093171 178.1
[M+Na-2H]- 171.053986 137.3
[M]+ 150.07877142 129.8
[M]- 150.07986858 129.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe