CID 199975

5369-84-6

Structural Information

Molecular Formula
C12H16N4O
SMILES
CC1=C(C(=CC=C1)C)OCCN2C=NN=C2N
InChI
InChI=1S/C12H16N4O/c1-9-4-3-5-10(2)11(9)17-7-6-16-8-14-15-12(16)13/h3-5,8H,6-7H2,1-2H3,(H2,13,15)
InChIKey
BQIJYQMEEOPKBX-UHFFFAOYSA-N
Compound name
4-[2-(2,6-dimethylphenoxy)ethyl]-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.13242 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13970 153.1
[M+Na]+ 255.12164 165.8
[M+NH4]+ 250.16624 160.0
[M+K]+ 271.09558 161.5
[M-H]- 231.12514 155.5
[M+Na-2H]- 253.10709 160.1
[M]+ 232.13187 155.4
[M]- 232.13297 155.4
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.