CID 21364142

5-isocyano-2-methylpyridine

Structural Information

Molecular Formula
C7H6N2
SMILES
CC1=NC=C(C=C1)[N+]#[C-]
InChI
InChI=1S/C7H6N2/c1-6-3-4-7(8-2)5-9-6/h3-5H,1H3
InChIKey
IVYBAYIOBVGPKI-UHFFFAOYSA-N
Compound name
5-isocyano-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

118.0531 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.060376 125.5
[M+Na]+ 141.042318 135.9
[M-H]- 117.045824 126.4
[M+NH4]+ 136.086923 143.8
[M+K]+ 157.016258 128.6
[M+H-H2O]+ 101.050360 117.6
[M+HCOO]- 163.051301 144.8
[M+CH3COO]- 177.066951 175.2
[M+Na-2H]- 139.027766 134.2
[M]+ 118.05255142 117.1
[M]- 118.05364858 117.1
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