CID 62951471

[3-(phenoxymethyl)-1h-1,2,4-triazol-5-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C10H12N4O
SMILES
C1=CC=C(C=C1)OCC2=NC(=NN2)CN
InChI
InChI=1S/C10H12N4O/c11-6-9-12-10(14-13-9)7-15-8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,12,13,14)
InChIKey
HAPRDAFGTLWZLF-UHFFFAOYSA-N
Compound name
[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1011 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10838 142.9
[M+Na]+ 227.09032 150.8
[M-H]- 203.09382 144.1
[M+NH4]+ 222.13492 158.3
[M+K]+ 243.06426 146.8
[M+H-H2O]+ 187.09836 133.8
[M+HCOO]- 249.09930 164.7
[M+CH3COO]- 263.11495 154.7
[M+Na-2H]- 225.07577 149.0
[M]+ 204.10055 141.2
[M]- 204.10165 141.2
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.