CID 15707894

(4-phenyl-4h-1,2,4-triazol-3-yl)methanol

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1=CC=C(C=C1)N2C=NN=C2CO
InChI
InChI=1S/C9H9N3O/c13-6-9-11-10-7-12(9)8-4-2-1-3-5-8/h1-5,7,13H,6H2
InChIKey
YXJZNBPGFPPTJA-UHFFFAOYSA-N
Compound name
(4-phenyl-1,2,4-triazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.07455 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 135.2
[M+Na]+ 198.06377 144.5
[M-H]- 174.06727 137.0
[M+NH4]+ 193.10837 152.3
[M+K]+ 214.03771 141.1
[M+H-H2O]+ 158.07181 126.7
[M+HCOO]- 220.07275 156.8
[M+CH3COO]- 234.08840 148.2
[M+Na-2H]- 196.04922 142.1
[M]+ 175.07400 134.8
[M]- 175.07510 134.8
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