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

259
Patents

225.11134 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11862 147.0
[M+Na]+ 248.10056 152.4
[M-H]- 224.10406 150.8
[M+NH4]+ 243.14516 163.9
[M+K]+ 264.07450 147.5
[M+H-H2O]+ 208.10860 144.8
[M+HCOO]- 270.10954 173.6
[M+CH3COO]- 284.12519 190.4
[M+Na-2H]- 246.08601 153.7
[M]+ 225.11079 146.1
[M]- 225.11189 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