CID 1551197

58046-27-8

Structural Information

Molecular Formula
C10H8N2O4
SMILES
COC1=C(C=CC(=C1)/C=C(/C#N)\[N+](=O)[O-])O
InChI
InChI=1S/C10H8N2O4/c1-16-10-5-7(2-3-9(10)13)4-8(6-11)12(14)15/h2-5,13H,1H3/b8-4-
InChIKey
VFBDDOROPMRGEH-YWEYNIOJSA-N
Compound name
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0484 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05568 146.2
[M+Na]+ 243.03762 157.5
[M+NH4]+ 238.08222 149.4
[M+K]+ 259.01156 152.0
[M-H]- 219.04112 140.5
[M+Na-2H]- 241.02307 148.3
[M]+ 220.04785 145.1
[M]- 220.04895 145.1
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

No patent data available for this compound.