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 167.2
[M+Na]+ 289.17742 174.6
[M+NH4]+ 284.22202 172.7
[M+K]+ 305.15136 172.0
[M-H]- 265.18092 167.4
[M+Na-2H]- 287.16287 166.7
[M]+ 266.18765 167.8
[M]- 266.18875 167.8
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

patents stripe