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]+ 288.134256 166.3
[M+Na]+ 310.116198 177.2
[M-H]- 286.119704 178.0
[M+NH4]+ 305.160803 174.6
[M+K]+ 326.090138 177.2
[M+H-H2O]+ 270.124240 158.6
[M+HCOO]- 332.125181 183.8
[M+CH3COO]- 346.140831 178.4
[M+Na-2H]- 308.101646 168.5
[M]+ 287.12643142 172.0
[M]- 287.12752858 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.