CID 162492

41847-86-3

Structural Information

Molecular Formula
C14H28O3
SMILES
CC(CCC=C(C)C)CCOCC(OC)OC
InChI
InChI=1S/C14H28O3/c1-12(2)7-6-8-13(3)9-10-17-11-14(15-4)16-5/h7,13-14H,6,8-11H2,1-5H3
InChIKey
NVDQZWFNNNAZNK-UHFFFAOYSA-N
Compound name
8-(2,2-dimethoxyethoxy)-2,6-dimethyloct-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

244.20384 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.21112 164.5
[M+Na]+ 267.19306 168.2
[M-H]- 243.19656 163.6
[M+NH4]+ 262.23766 182.1
[M+K]+ 283.16700 168.1
[M+H-H2O]+ 227.20110 158.6
[M+HCOO]- 289.20204 183.7
[M+CH3COO]- 303.21769 198.1
[M+Na-2H]- 265.17851 163.6
[M]+ 244.20329 170.6
[M]- 244.20439 170.6
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