CID 75355747

1026133-62-9

Structural Information

Molecular Formula
C9H10N4O
SMILES
C1=CC(=CC=C1N)N2C=C(N=N2)CO
InChI
InChI=1S/C9H10N4O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-5,14H,6,10H2
InChIKey
XZKSEAXZAGUKNI-UHFFFAOYSA-N
Compound name
[1-(4-aminophenyl)triazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

190.08546 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 139.3
[M+Na]+ 213.07468 148.6
[M-H]- 189.07818 141.1
[M+NH4]+ 208.11928 155.6
[M+K]+ 229.04862 144.8
[M+H-H2O]+ 173.08272 130.8
[M+HCOO]- 235.08366 161.4
[M+CH3COO]- 249.09931 151.9
[M+Na-2H]- 211.06013 145.1
[M]+ 190.08491 137.7
[M]- 190.08601 137.7
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.