CID 10130360

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

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CC1=CC(=C(C=C1)NCCO)[N+](=O)[O-]
InChI
InChI=1S/C9H12N2O3/c1-7-2-3-8(10-4-5-12)9(6-7)11(13)14/h2-3,6,10,12H,4-5H2,1H3
InChIKey
SCZQUWZLEIYDBD-UHFFFAOYSA-N
Compound name
2-(4-methyl-2-nitroanilino)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5906
Patents

196.0848 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.092076 139.3
[M+Na]+ 219.074018 146.0
[M-H]- 195.077524 142.0
[M+NH4]+ 214.118623 157.2
[M+K]+ 235.047958 139.8
[M+H-H2O]+ 179.082060 138.0
[M+HCOO]- 241.083001 164.8
[M+CH3COO]- 255.098651 178.9
[M+Na-2H]- 217.059466 146.9
[M]+ 196.08425142 137.7
[M]- 196.08534858 137.7
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