CID 2771560

4-(isocyanomethyl)pyridine

Structural Information

Molecular Formula
C7H6N2
SMILES
[C-]#[N+]CC1=CC=NC=C1
InChI
InChI=1S/C7H6N2/c1-8-6-7-2-4-9-5-3-7/h2-5H,6H2
InChIKey
MCYOVNZPMYQFTF-UHFFFAOYSA-N
Compound name
4-(isocyanomethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

118.0531 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.060376 125.9
[M+Na]+ 141.042318 135.5
[M-H]- 117.045824 126.4
[M+NH4]+ 136.086923 143.9
[M+K]+ 157.016258 128.1
[M+H-H2O]+ 101.050360 117.7
[M+HCOO]- 163.051301 145.2
[M+CH3COO]- 177.066951 174.3
[M+Na-2H]- 139.027766 135.2
[M]+ 118.05255142 117.2
[M]- 118.05364858 117.2
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