CID 64989211

3-isocyanato-5-methylpyridine

Structural Information

Molecular Formula
C7H6N2O
SMILES
CC1=CC(=CN=C1)N=C=O
InChI
InChI=1S/C7H6N2O/c1-6-2-7(9-5-10)4-8-3-6/h2-4H,1H3
InChIKey
XYUUTKAAAWSUCU-UHFFFAOYSA-N
Compound name
3-isocyanato-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.04802 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 124.8
[M+Na]+ 157.03724 138.3
[M+NH4]+ 152.08184 133.3
[M+K]+ 173.01118 131.5
[M-H]- 133.04074 127.3
[M+Na-2H]- 155.02269 133.1
[M]+ 134.04747 127.3
[M]- 134.04857 127.3
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

No patent data available for this compound.