CID 2735225

22977-34-0

Structural Information

Molecular Formula
C8H10N2O
SMILES
CC(=O)NCC1=CN=CC=C1
InChI
InChI=1S/C8H10N2O/c1-7(11)10-6-8-3-2-4-9-5-8/h2-5H,6H2,1H3,(H,10,11)
InChIKey
KQZCRXVJXGYIFM-UHFFFAOYSA-N
Compound name
N-(pyridin-3-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

340
Patents

150.07932 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 130.4
[M+Na]+ 173.068538 137.5
[M-H]- 149.072044 132.7
[M+NH4]+ 168.113143 149.9
[M+K]+ 189.042478 136.0
[M+H-H2O]+ 133.076580 123.7
[M+HCOO]- 195.077521 154.5
[M+CH3COO]- 209.093171 177.0
[M+Na-2H]- 171.053986 138.3
[M]+ 150.07877142 129.7
[M]- 150.07986858 129.7
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