CID 39869140

3-[2-(1h-1,2,4-triazol-1-yl)ethoxy]aniline dihydrochloride

Structural Information

Molecular Formula
C10H12N4O
SMILES
C1=CC(=CC(=C1)OCCN2C=NC=N2)N
InChI
InChI=1S/C10H12N4O/c11-9-2-1-3-10(6-9)15-5-4-14-8-12-7-13-14/h1-3,6-8H,4-5,11H2
InChIKey
VMLCXEKPIHQIFY-UHFFFAOYSA-N
Compound name
3-[2-(1,2,4-triazol-1-yl)ethoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10838 143.8
[M+Na]+ 227.09032 156.1
[M+NH4]+ 222.13492 151.0
[M+K]+ 243.06426 151.9
[M-H]- 203.09382 146.1
[M+Na-2H]- 225.07577 151.9
[M]+ 204.10055 146.0
[M]- 204.10165 146.0
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

No patent data available for this compound.