CID 75176192

(3,6-dimethoxy-2-nitrophenyl)methanol

Structural Information

Molecular Formula
C9H11NO5
SMILES
COC1=C(C(=C(C=C1)OC)[N+](=O)[O-])CO
InChI
InChI=1S/C9H11NO5/c1-14-7-3-4-8(15-2)9(10(12)13)6(7)5-11/h3-4,11H,5H2,1-2H3
InChIKey
VWGITNTZWHALGM-UHFFFAOYSA-N
Compound name
(3,6-dimethoxy-2-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.06372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.07100 141.7
[M+Na]+ 236.05294 149.9
[M-H]- 212.05644 144.8
[M+NH4]+ 231.09754 159.4
[M+K]+ 252.02688 145.0
[M+H-H2O]+ 196.06098 140.5
[M+HCOO]- 258.06192 166.5
[M+CH3COO]- 272.07757 179.5
[M+Na-2H]- 234.03839 148.5
[M]+ 213.06317 144.0
[M]- 213.06427 144.0
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.