CID 3009130

1-[[(2s,4s)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole

Structural Information

Molecular Formula
C13H15N3O2
SMILES
C[C@@]1(OC[C@@H](O1)CN2C=NC=N2)C3=CC=CC=C3
InChI
InChI=1S/C13H15N3O2/c1-13(11-5-3-2-4-6-11)17-8-12(18-13)7-16-10-14-9-15-16/h2-6,9-10,12H,7-8H2,1H3/t12-,13-/m0/s1
InChIKey
SOCOMHCIXYDFEF-STQMWFEESA-N
Compound name
1-[[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 151.6
[M+Na]+ 268.10564 159.8
[M-H]- 244.10914 158.9
[M+NH4]+ 263.15024 167.2
[M+K]+ 284.07958 159.4
[M+H-H2O]+ 228.11368 143.0
[M+HCOO]- 290.11462 171.1
[M+CH3COO]- 304.13027 164.2
[M+Na-2H]- 266.09109 156.1
[M]+ 245.11587 152.8
[M]- 245.11697 152.8
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.