CID 71671583

1-(1-benzyl-1h-1,2,3-triazol-4-yl)ethan-1-ol

Structural Information

Molecular Formula
C11H13N3O
SMILES
CC(C1=CN(N=N1)CC2=CC=CC=C2)O
InChI
InChI=1S/C11H13N3O/c1-9(15)11-8-14(13-12-11)7-10-5-3-2-4-6-10/h2-6,8-9,15H,7H2,1H3
InChIKey
MRHOPRBQUJHPOX-UHFFFAOYSA-N
Compound name
1-(1-benzyltriazol-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

203.10587 Da
Monoisotopic Mass

0.8
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

literature stripe

Patent stripe

patents stripe