CID 14599989

5-isocyanato-2-methoxypyridine

Structural Information

Molecular Formula
C7H6N2O2
SMILES
COC1=NC=C(C=C1)N=C=O
InChI
InChI=1S/C7H6N2O2/c1-11-7-3-2-6(4-8-7)9-5-10/h2-4H,1H3
InChIKey
JWFJBXAKNZCOLA-UHFFFAOYSA-N
Compound name
5-isocyanato-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

150.04292 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.050196 126.0
[M+Na]+ 173.032138 135.4
[M-H]- 149.035644 130.2
[M+NH4]+ 168.076743 146.5
[M+K]+ 189.006078 134.6
[M+H-H2O]+ 133.040180 119.2
[M+HCOO]- 195.041121 153.4
[M+CH3COO]- 209.056771 178.1
[M+Na-2H]- 171.017586 135.6
[M]+ 150.04237142 128.6
[M]- 150.04346858 128.6
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