CID 3018706

2-amino-5-nitrobenzyl alcohol

Structural Information

Molecular Formula
C7H8N2O3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])CO)N
InChI
InChI=1S/C7H8N2O3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-3,10H,4,8H2
InChIKey
XEALBFKUNCXFTO-UHFFFAOYSA-N
Compound name
(2-amino-5-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

65
Patents

168.0535 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 130.1
[M+Na]+ 191.042718 137.7
[M-H]- 167.046224 132.7
[M+NH4]+ 186.087323 148.9
[M+K]+ 207.016658 131.7
[M+H-H2O]+ 151.050760 129.2
[M+HCOO]- 213.051701 155.7
[M+CH3COO]- 227.067351 172.1
[M+Na-2H]- 189.028166 137.7
[M]+ 168.05295142 126.8
[M]- 168.05404858 126.8
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