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

40
Patents

190.08546 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.092736 139.3
[M+Na]+ 213.074678 148.6
[M-H]- 189.078184 141.1
[M+NH4]+ 208.119283 155.6
[M+K]+ 229.048618 144.8
[M+H-H2O]+ 173.082720 130.8
[M+HCOO]- 235.083661 161.4
[M+CH3COO]- 249.099311 151.9
[M+Na-2H]- 211.060126 145.1
[M]+ 190.08491142 137.7
[M]- 190.08600858 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

patents stripe