CID 2769501

3-(isocyanomethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

118.0531 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.06038 125.9
[M+Na]+ 141.04232 135.5
[M-H]- 117.04582 126.4
[M+NH4]+ 136.08692 143.9
[M+K]+ 157.01626 128.1
[M+H-H2O]+ 101.05036 117.7
[M+HCOO]- 163.05130 145.2
[M+CH3COO]- 177.06695 174.3
[M+Na-2H]- 139.02777 135.2
[M]+ 118.05255 117.2
[M]- 118.05365 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