CID 71594942

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

Structural Information

Molecular Formula
C11H13N3O
SMILES
CC(C)(C1=CN(N=N1)C2=CC=CC=C2)O
InChI
InChI=1S/C11H13N3O/c1-11(2,15)10-8-14(13-12-10)9-6-4-3-5-7-9/h3-8,15H,1-2H3
InChIKey
RODAHMWLOQOTBW-UHFFFAOYSA-N
Compound name
2-(1-phenyltriazol-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

203.10587 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 145.0
[M+Na]+ 226.09509 157.8
[M+NH4]+ 221.13969 152.1
[M+K]+ 242.06903 154.2
[M-H]- 202.09859 146.1
[M+Na-2H]- 224.08054 152.9
[M]+ 203.10532 147.1
[M]- 203.10642 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe