CID 101556582

2-isocyano-1,3-dimethoxybenzene

Structural Information

Molecular Formula
C9H9NO2
SMILES
COC1=C(C(=CC=C1)OC)[N+]#[C-]
InChI
InChI=1S/C9H9NO2/c1-10-9-7(11-2)5-4-6-8(9)12-3/h4-6H,2-3H3
InChIKey
IGNWDJGTCNZGGW-UHFFFAOYSA-N
Compound name
2-isocyano-1,3-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 132.0
[M+Na]+ 186.05254 146.2
[M+NH4]+ 181.09714 137.7
[M+K]+ 202.02648 138.4
[M-H]- 162.05604 128.1
[M+Na-2H]- 184.03799 136.6
[M]+ 163.06277 132.2
[M]- 163.06387 132.2
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.