CID 12032424

4-(hydroxymethyl)-2-methoxy-5-nitrophenol

Structural Information

Molecular Formula
C8H9NO5
SMILES
COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])O
InChI
InChI=1S/C8H9NO5/c1-14-8-2-5(4-10)6(9(12)13)3-7(8)11/h2-3,10-11H,4H2,1H3
InChIKey
ILTAOBUUHMDUBI-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-2-methoxy-5-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

199.04807 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.055346 136.9
[M+Na]+ 222.037288 145.1
[M-H]- 198.040794 138.8
[M+NH4]+ 217.081893 154.4
[M+K]+ 238.011228 139.5
[M+H-H2O]+ 182.045330 136.2
[M+HCOO]- 244.046271 160.6
[M+CH3COO]- 258.061921 173.7
[M+Na-2H]- 220.022736 143.8
[M]+ 199.04752142 137.0
[M]- 199.04861858 137.0
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

patents stripe