CID 6365747

75391-51-4

Structural Information

Molecular Formula
C14H26O3
SMILES
CC(=CCC/C(=C/COCC(OC)OC)/C)C
InChI
InChI=1S/C14H26O3/c1-12(2)7-6-8-13(3)9-10-17-11-14(15-4)16-5/h7,9,14H,6,8,10-11H2,1-5H3/b13-9+
InChIKey
NPBSCTNZMOBINO-UKTHLTGXSA-N
Compound name
(2E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.1882 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.19548 162.9
[M+Na]+ 265.17742 166.9
[M-H]- 241.18092 162.1
[M+NH4]+ 260.22202 180.6
[M+K]+ 281.15136 166.2
[M+H-H2O]+ 225.18546 157.1
[M+HCOO]- 287.18640 182.3
[M+CH3COO]- 301.20205 196.5
[M+Na-2H]- 263.16287 162.1
[M]+ 242.18765 168.2
[M]- 242.18875 168.2
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