CID 2763823

39224-61-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

222
Patents

169.0375 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe