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
2
Annotation Hits

0
References

4404
Patents

211.09569 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10297 143.4
[M+Na]+ 234.08491 154.1
[M+NH4]+ 229.12951 150.2
[M+K]+ 250.05885 152.0
[M-H]- 210.08841 146.6
[M+Na-2H]- 232.07036 148.0
[M]+ 211.09514 145.4
[M]- 211.09624 145.4
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