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]+ 135.05530 128.3
[M+Na]+ 157.03724 138.6
[M-H]- 133.04074 129.1
[M+NH4]+ 152.08184 145.9
[M+K]+ 173.01118 131.7
[M+H-H2O]+ 117.04528 120.2
[M+HCOO]- 179.04622 147.8
[M+CH3COO]- 193.06187 176.9
[M+Na-2H]- 155.02269 137.0
[M]+ 134.04747 121.1
[M]- 134.04857 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