CID 638439

2-methoxy-4-(2-nitrovinyl)phenol

Structural Information

Molecular Formula
C9H9NO4
SMILES
COC1=C(C=CC(=C1)/C=C/[N+](=O)[O-])O
InChI
InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+
InChIKey
XVXCSPJSXIUNQJ-SNAWJCMRSA-N
Compound name
2-methoxy-4-[(E)-2-nitroethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

43
Patents

195.05316 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 138.4
[M+Na]+ 218.04238 151.3
[M+NH4]+ 213.08698 145.7
[M+K]+ 234.01632 148.4
[M-H]- 194.04588 140.6
[M+Na-2H]- 216.02783 143.9
[M]+ 195.05261 140.6
[M]- 195.05371 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe