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]+ 169.06078 129.9
[M+Na]+ 191.04272 138.4
[M-H]- 167.04622 132.8
[M+NH4]+ 186.08732 148.9
[M+K]+ 207.01666 132.4
[M+H-H2O]+ 151.05076 129.3
[M+HCOO]- 213.05170 155.4
[M+CH3COO]- 227.06735 173.2
[M+Na-2H]- 189.02817 136.8
[M]+ 168.05295 126.9
[M]- 168.05405 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.