CID 14520114

5-(hydroxymethyl)-2-nitrophenol

Structural Information

Molecular Formula
C7H7NO4
SMILES
C1=CC(=C(C=C1CO)O)[N+](=O)[O-]
InChI
InChI=1S/C7H7NO4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3,9-10H,4H2
InChIKey
YDFRYKXELURVHE-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-2-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

169.0375 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe