CID 6481688

1-(p-tolyl)-2-(triazol-2-yl)ethanol

Structural Information

Molecular Formula
C11H13N3O
SMILES
CC1=CC=C(C=C1)C(CN2N=CC=N2)O
InChI
InChI=1S/C11H13N3O/c1-9-2-4-10(5-3-9)11(15)8-14-12-6-7-13-14/h2-7,11,15H,8H2,1H3
InChIKey
LDEOQAGKYZUTIQ-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-2-(triazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.10587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 144.6
[M+Na]+ 226.09509 152.7
[M-H]- 202.09859 146.2
[M+NH4]+ 221.13969 160.5
[M+K]+ 242.06903 149.3
[M+H-H2O]+ 186.10313 135.8
[M+HCOO]- 248.10407 164.5
[M+CH3COO]- 262.11972 182.5
[M+Na-2H]- 224.08054 149.3
[M]+ 203.10532 144.3
[M]- 203.10642 144.3
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.