CID 239208

N-(3-methyl-2-pyridyl)formamide

Structural Information

Molecular Formula
C7H8N2O
SMILES
CC1=C(N=CC=C1)NC=O
InChI
InChI=1S/C7H8N2O/c1-6-3-2-4-8-7(6)9-5-10/h2-5H,1H3,(H,8,9,10)
InChIKey
VVSSRZAVOQVJHG-UHFFFAOYSA-N
Compound name
N-(3-methyl-2-pyridinyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

136.06366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 124.8
[M+Na]+ 159.052878 133.5
[M-H]- 135.056384 127.5
[M+NH4]+ 154.097483 145.2
[M+K]+ 175.026818 131.8
[M+H-H2O]+ 119.060920 118.4
[M+HCOO]- 181.061861 150.2
[M+CH3COO]- 195.077511 174.9
[M+Na-2H]- 157.038326 133.8
[M]+ 136.06311142 124.9
[M]- 136.06420858 124.9
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