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

11
Patents

199.04807 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05535 137.7
[M+Na]+ 222.03729 150.0
[M+NH4]+ 217.08189 144.4
[M+K]+ 238.01123 148.5
[M-H]- 198.04079 139.1
[M+Na-2H]- 220.02274 142.2
[M]+ 199.04752 139.5
[M]- 199.04862 139.5
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