CID 81565787

2-methyl-4-(4h-1,2,4-triazol-4-yl)phenol

Structural Information

Molecular Formula
C9H9N3O
SMILES
CC1=C(C=CC(=C1)N2C=NN=C2)O
InChI
InChI=1S/C9H9N3O/c1-7-4-8(2-3-9(7)13)12-5-10-11-6-12/h2-6,13H,1H3
InChIKey
PUJJVDBUVWMXOJ-UHFFFAOYSA-N
Compound name
2-methyl-4-(1,2,4-triazol-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 135.4
[M+Na]+ 198.06377 145.7
[M-H]- 174.06727 137.7
[M+NH4]+ 193.10837 152.9
[M+K]+ 214.03771 142.3
[M+H-H2O]+ 158.07181 127.3
[M+HCOO]- 220.07275 157.0
[M+CH3COO]- 234.08840 148.8
[M+Na-2H]- 196.04922 141.6
[M]+ 175.07400 135.4
[M]- 175.07510 135.4
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.