CID 50877174

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

Structural Information

Molecular Formula
C10H12N4O
SMILES
COC1=CC=C(C=C1)C2=NNC(=N2)CN
InChI
InChI=1S/C10H12N4O/c1-15-8-4-2-7(3-5-8)10-12-9(6-11)13-14-10/h2-5H,6,11H2,1H3,(H,12,13,14)
InChIKey
SAUQVKXTZPBQJN-UHFFFAOYSA-N
Compound name
[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1011 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10838 143.8
[M+Na]+ 227.09032 152.6
[M-H]- 203.09382 145.4
[M+NH4]+ 222.13492 159.4
[M+K]+ 243.06426 148.6
[M+H-H2O]+ 187.09836 135.0
[M+HCOO]- 249.09930 165.5
[M+CH3COO]- 263.11495 184.1
[M+Na-2H]- 225.07577 149.0
[M]+ 204.10055 142.4
[M]- 204.10165 142.4
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.