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]+ 267.19548 167.7
[M+Na]+ 289.17742 172.1
[M-H]- 265.18092 170.9
[M+NH4]+ 284.22202 184.9
[M+K]+ 305.15136 171.0
[M+H-H2O]+ 249.18546 162.3
[M+HCOO]- 311.18640 185.1
[M+CH3COO]- 325.20205 201.0
[M+Na-2H]- 287.16287 164.1
[M]+ 266.18765 169.6
[M]- 266.18875 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