CID 20872592

2-isocyano-3-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

118.0531 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.06038 125.5
[M+Na]+ 141.04232 135.9
[M-H]- 117.04582 126.4
[M+NH4]+ 136.08692 143.8
[M+K]+ 157.01626 128.6
[M+H-H2O]+ 101.05036 117.6
[M+HCOO]- 163.05130 144.8
[M+CH3COO]- 177.06695 175.2
[M+Na-2H]- 139.02777 134.2
[M]+ 118.05255 117.1
[M]- 118.05365 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