CID 9877511

4-(2-methoxyphenyl)-1h-1,2,3-triazole

Structural Information

Molecular Formula
C9H9N3O
SMILES
COC1=CC=CC=C1C2=NNN=C2
InChI
InChI=1S/C9H9N3O/c1-13-9-5-3-2-4-7(9)8-6-10-12-11-8/h2-6H,1H3,(H,10,11,12)
InChIKey
DXFUGJOFNXTOGO-UHFFFAOYSA-N
Compound name
4-(2-methoxyphenyl)-2H-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

19
Patents

175.07455 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 136.4
[M+Na]+ 198.06377 149.9
[M+NH4]+ 193.10837 144.0
[M+K]+ 214.03771 145.5
[M-H]- 174.06727 138.1
[M+Na-2H]- 196.04922 144.8
[M]+ 175.07400 138.6
[M]- 175.07510 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe