CID 5374135

2-amino-6-methyl-4-nitrophenol

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CC1=CC(=CC(=C1O)N)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O3/c1-4-2-5(9(11)12)3-6(8)7(4)10/h2-3,10H,8H2,1H3
InChIKey
ZDMBLPBTZZZSIW-UHFFFAOYSA-N
Compound name
2-amino-6-methyl-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

168.0535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 129.9
[M+Na]+ 191.042718 138.4
[M-H]- 167.046224 132.8
[M+NH4]+ 186.087323 148.9
[M+K]+ 207.016658 132.4
[M+H-H2O]+ 151.050760 129.3
[M+HCOO]- 213.051701 155.4
[M+CH3COO]- 227.067351 173.2
[M+Na-2H]- 189.028166 136.8
[M]+ 168.05295142 126.9
[M]- 168.05404858 126.9
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