CID 47002585

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

Structural Information

Molecular Formula
C10H12N4O
SMILES
COC1=CC=CC(=C1)N2C=C(N=N2)CN
InChI
InChI=1S/C10H12N4O/c1-15-10-4-2-3-9(5-10)14-7-8(6-11)12-13-14/h2-5,7H,6,11H2,1H3
InChIKey
MWXKSQXCCVVJIW-UHFFFAOYSA-N
Compound name
[1-(3-methoxyphenyl)triazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1011 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.108376 143.3
[M+Na]+ 227.090318 152.6
[M-H]- 203.093824 146.3
[M+NH4]+ 222.134923 159.7
[M+K]+ 243.064258 149.4
[M+H-H2O]+ 187.098360 134.3
[M+HCOO]- 249.099301 166.5
[M+CH3COO]- 263.114951 186.6
[M+Na-2H]- 225.075766 149.0
[M]+ 204.10055142 143.9
[M]- 204.10164858 143.9
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.