CID 102332589

Hwg 1608-lactone (m17)

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CC(C)(C)C1(CCC(=O)O1)CN2C=NC=N2
InChI
InChI=1S/C11H17N3O2/c1-10(2,3)11(5-4-9(15)16-11)6-14-8-12-7-13-14/h7-8H,4-6H2,1-3H3
InChIKey
DVLMVKDOFMLUEE-UHFFFAOYSA-N
Compound name
5-tert-butyl-5-(1,2,4-triazol-1-ylmethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

223.13208 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 149.1
[M+Na]+ 246.12130 158.7
[M+NH4]+ 241.16590 156.7
[M+K]+ 262.09524 156.8
[M-H]- 222.12480 150.0
[M+Na-2H]- 244.10675 154.7
[M]+ 223.13153 150.6
[M]- 223.13263 150.6
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.