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

12
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 136.9
[M+Na]+ 222.03729 145.1
[M-H]- 198.04079 138.8
[M+NH4]+ 217.08189 154.4
[M+K]+ 238.01123 139.5
[M+H-H2O]+ 182.04533 136.2
[M+HCOO]- 244.04627 160.6
[M+CH3COO]- 258.06192 173.7
[M+Na-2H]- 220.02274 143.8
[M]+ 199.04752 137.0
[M]- 199.04862 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