CID 9815715

2-((4-amino-2-methyl-5-nitrophenyl)amino)ethanol

Structural Information

Molecular Formula
C9H13N3O3
SMILES
CC1=CC(=C(C=C1NCCO)[N+](=O)[O-])N
InChI
InChI=1S/C9H13N3O3/c1-6-4-7(10)9(12(14)15)5-8(6)11-2-3-13/h4-5,11,13H,2-3,10H2,1H3
InChIKey
LGZSBRSLVPLNTM-UHFFFAOYSA-N
Compound name
2-(4-amino-2-methyl-5-nitroanilino)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6523
Patents

211.09569 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.102966 142.1
[M+Na]+ 234.084908 148.7
[M-H]- 210.088414 144.5
[M+NH4]+ 229.129513 158.9
[M+K]+ 250.058848 142.2
[M+H-H2O]+ 194.092950 140.4
[M+HCOO]- 256.093891 167.8
[M+CH3COO]- 270.109541 184.4
[M+Na-2H]- 232.070356 148.4
[M]+ 211.09514142 139.0
[M]- 211.09623858 139.0
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

patents stripe