CID 222082

6178-42-3

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
InChIKey
XVXCSPJSXIUNQJ-UHFFFAOYSA-N
Compound name
2-methoxy-4-(2-nitroethenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

70
Patents

195.05316 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.060436 138.4
[M+Na]+ 218.042378 146.3
[M-H]- 194.045884 141.3
[M+NH4]+ 213.086983 156.6
[M+K]+ 234.016318 140.1
[M+H-H2O]+ 178.050420 137.4
[M+HCOO]- 240.051361 163.3
[M+CH3COO]- 254.067011 174.5
[M+Na-2H]- 216.027826 145.7
[M]+ 195.05261142 138.2
[M]- 195.05370858 138.2
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