CID 20754776

5-isocyano-2-methoxypyridine

Structural Information

Molecular Formula
C7H6N2O
SMILES
COC1=NC=C(C=C1)[N+]#[C-]
InChI
InChI=1S/C7H6N2O/c1-8-6-3-4-7(10-2)9-5-6/h3-5H,2H3
InChIKey
ZHHPRLHIRZWXAQ-UHFFFAOYSA-N
Compound name
5-isocyano-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

134.04802 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.055296 128.3
[M+Na]+ 157.037238 138.6
[M-H]- 133.040744 129.1
[M+NH4]+ 152.081843 145.9
[M+K]+ 173.011178 131.7
[M+H-H2O]+ 117.045280 120.2
[M+HCOO]- 179.046221 147.8
[M+CH3COO]- 193.061871 176.9
[M+Na-2H]- 155.022686 137.0
[M]+ 134.04747142 121.1
[M]- 134.04856858 121.1
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