CID 7330505

5-isocyanato-2-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

134.04802 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.055296 122.9
[M+Na]+ 157.037238 132.4
[M-H]- 133.040744 127.1
[M+NH4]+ 152.081843 144.1
[M+K]+ 173.011178 131.1
[M+H-H2O]+ 117.045280 116.4
[M+HCOO]- 179.046221 150.1
[M+CH3COO]- 193.061871 176.0
[M+Na-2H]- 155.022686 132.5
[M]+ 134.04747142 124.1
[M]- 134.04856858 124.1
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