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

15
Patents

169.0375 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 129.7
[M+Na]+ 192.02672 137.7
[M-H]- 168.03022 131.5
[M+NH4]+ 187.07132 148.3
[M+K]+ 208.00066 131.7
[M+H-H2O]+ 152.03476 129.3
[M+HCOO]- 214.03570 153.6
[M+CH3COO]- 228.05135 167.3
[M+Na-2H]- 190.01217 137.7
[M]+ 169.03695 127.7
[M]- 169.03805 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