CID 82470

10228-03-2

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CNC1=C(C=C(C=C1)N(C)CCO)[N+](=O)[O-]
InChI
InChI=1S/C10H15N3O3/c1-11-9-4-3-8(12(2)5-6-14)7-10(9)13(15)16/h3-4,7,11,14H,5-6H2,1-2H3
InChIKey
WFQYZMBZJONURU-UHFFFAOYSA-N
Compound name
2-[N-methyl-4-(methylamino)-3-nitroanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

377
Patents

225.11134 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.118616 147.0
[M+Na]+ 248.100558 152.4
[M-H]- 224.104064 150.8
[M+NH4]+ 243.145163 163.9
[M+K]+ 264.074498 147.5
[M+H-H2O]+ 208.108600 144.8
[M+HCOO]- 270.109541 173.6
[M+CH3COO]- 284.125191 190.4
[M+Na-2H]- 246.086006 153.7
[M]+ 225.11079142 146.1
[M]- 225.11188858 146.1
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