CID 111349

68683-38-5

Structural Information

Molecular Formula
C16H26O3
SMILES
CC(C)CC(C)CC(C)C=CCC1CC(=O)OC1=O
InChI
InChI=1S/C16H26O3/c1-11(2)8-13(4)9-12(3)6-5-7-14-10-15(17)19-16(14)18/h5-6,11-14H,7-10H2,1-4H3
InChIKey
XOUXWTUUVBTGSO-UHFFFAOYSA-N
Compound name
3-(4,6,8-trimethylnon-2-enyl)oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

266.1882 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.195476 167.7
[M+Na]+ 289.177418 172.1
[M-H]- 265.180924 170.9
[M+NH4]+ 284.222023 184.9
[M+K]+ 305.151358 171.0
[M+H-H2O]+ 249.185460 162.3
[M+HCOO]- 311.186401 185.1
[M+CH3COO]- 325.202051 201.0
[M+Na-2H]- 287.162866 164.1
[M]+ 266.18765142 169.6
[M]- 266.18874858 169.6
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

patents stripe