CID 78637

4926-55-0

Structural Information

Molecular Formula
C8H10N2O3
SMILES
C1=CC=C(C(=C1)NCCO)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O3/c11-6-5-9-7-3-1-2-4-8(7)10(12)13/h1-4,9,11H,5-6H2
InChIKey
LFOUYKNCQNVIGI-UHFFFAOYSA-N
Compound name
2-(2-nitroanilino)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3264
Patents

182.06914 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 134.7
[M+Na]+ 205.05836 140.9
[M-H]- 181.06186 137.1
[M+NH4]+ 200.10296 152.8
[M+K]+ 221.03230 134.9
[M+H-H2O]+ 165.06640 133.3
[M+HCOO]- 227.06734 160.5
[M+CH3COO]- 241.08299 174.7
[M+Na-2H]- 203.04381 143.5
[M]+ 182.06859 132.3
[M]- 182.06969 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe