CID 117167434

1202580-84-4

Structural Information

Molecular Formula
C11H13N3O
SMILES
CC(CC1=CN(N=N1)C2=CC=CC=C2)O
InChI
InChI=1S/C11H13N3O/c1-9(15)7-10-8-14(13-12-10)11-5-3-2-4-6-11/h2-6,8-9,15H,7H2,1H3
InChIKey
HWWBQLZSSLLCEW-UHFFFAOYSA-N
Compound name
1-(1-phenyltriazol-4-yl)propan-2-ol
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]+ 204.113146 144.6
[M+Na]+ 226.095088 152.7
[M-H]- 202.098594 146.2
[M+NH4]+ 221.139693 160.5
[M+K]+ 242.069028 149.3
[M+H-H2O]+ 186.103130 135.8
[M+HCOO]- 248.104071 164.5
[M+CH3COO]- 262.119721 182.5
[M+Na-2H]- 224.080536 149.3
[M]+ 203.10532142 144.3
[M]- 203.10641858 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.