CID 92130860

1427365-61-4

Structural Information

Molecular Formula
C9H7NO3
SMILES
COC1=CC2=C(C=C1C#N)OCO2
InChI
InChI=1S/C9H7NO3/c1-11-7-3-9-8(12-5-13-9)2-6(7)4-10/h2-3H,5H2,1H3
InChIKey
QHTDWXKQLLDGGY-UHFFFAOYSA-N
Compound name
6-methoxy-1,3-benzodioxole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04259 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 131.0
[M+Na]+ 200.03181 143.2
[M-H]- 176.03531 136.2
[M+NH4]+ 195.07641 149.6
[M+K]+ 216.00575 141.7
[M+H-H2O]+ 160.03985 119.4
[M+HCOO]- 222.04079 150.2
[M+CH3COO]- 236.05644 191.2
[M+Na-2H]- 198.01726 139.1
[M]+ 177.04204 129.9
[M]- 177.04314 129.9
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.