CID 53752598

3-(hydroxymethyl)-2-nitrophenol

Structural Information

Molecular Formula
C7H7NO4
SMILES
C1=CC(=C(C(=C1)O)[N+](=O)[O-])CO
InChI
InChI=1S/C7H7NO4/c9-4-5-2-1-3-6(10)7(5)8(11)12/h1-3,9-10H,4H2
InChIKey
DCEWMNYPPSLSLQ-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-2-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

169.0375 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.044776 129.7
[M+Na]+ 192.026718 137.7
[M-H]- 168.030224 131.5
[M+NH4]+ 187.071323 148.3
[M+K]+ 208.000658 131.7
[M+H-H2O]+ 152.034760 129.3
[M+HCOO]- 214.035701 153.6
[M+CH3COO]- 228.051351 167.3
[M+Na-2H]- 190.012166 137.7
[M]+ 169.03695142 127.7
[M]- 169.03804858 127.7
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