CID 472887

4-[2,2-dimethyl-5-(oxiran-2-yl)-1,3-dioxolan-4-yl]-2-phenyl-triazole

Structural Information

Molecular Formula
C15H17N3O3
SMILES
CC1(OC(C(O1)C2=NN(N=C2)C3=CC=CC=C3)C4CO4)C
InChI
InChI=1S/C15H17N3O3/c1-15(2)20-13(14(21-15)12-9-19-12)11-8-16-18(17-11)10-6-4-3-5-7-10/h3-8,12-14H,9H2,1-2H3
InChIKey
WHNGXZYGSVTXQI-UHFFFAOYSA-N
Compound name
4-[2,2-dimethyl-5-(oxiran-2-yl)-1,3-dioxolan-4-yl]-2-phenyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.12698 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13426 166.3
[M+Na]+ 310.11620 177.2
[M-H]- 286.11970 178.0
[M+NH4]+ 305.16080 174.6
[M+K]+ 326.09014 177.2
[M+H-H2O]+ 270.12424 158.6
[M+HCOO]- 332.12518 183.8
[M+CH3COO]- 346.14083 178.4
[M+Na-2H]- 308.10165 168.5
[M]+ 287.12643 172.0
[M]- 287.12753 172.0
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

No patent data available for this compound.