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]+ 205.108376 142.9
[M+Na]+ 227.090318 150.8
[M-H]- 203.093824 144.1
[M+NH4]+ 222.134923 158.3
[M+K]+ 243.064258 146.8
[M+H-H2O]+ 187.098360 133.8
[M+HCOO]- 249.099301 164.7
[M+CH3COO]- 263.114951 154.7
[M+Na-2H]- 225.075766 149.0
[M]+ 204.10055142 141.2
[M]- 204.10164858 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.