CID 9920448

81037-06-1

Structural Information

Molecular Formula
C8H14O3
SMILES
C[C@H]1C(=O)O[C@H](O1)C(C)(C)C
InChI
InChI=1S/C8H14O3/c1-5-6(9)11-7(10-5)8(2,3)4/h5,7H,1-4H3/t5-,7-/m0/s1
InChIKey
LEWYZEQNYWGOBF-FSPLSTOPSA-N
Compound name
(2S,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

158.0943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 131.3
[M+Na]+ 181.08352 139.7
[M-H]- 157.08702 136.5
[M+NH4]+ 176.12812 152.0
[M+K]+ 197.05746 141.8
[M+H-H2O]+ 141.09156 127.9
[M+HCOO]- 203.09250 151.5
[M+CH3COO]- 217.10815 176.4
[M+Na-2H]- 179.06897 137.6
[M]+ 158.09375 133.8
[M]- 158.09485 133.8
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