CID 5320250

Cis-beta-ocimene

Structural Information

Molecular Formula
C10H16
SMILES
CC(=CC/C=C(/C)\C=C)C
InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8-
InChIKey
IHPKGUQCSIINRJ-NTMALXAHSA-N
Compound name
(3Z)-3,7-dimethylocta-1,3,6-triene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

147
References

14736
Patents

136.1252 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 132.6
[M+Na]+ 159.11442 138.9
[M-H]- 135.11792 132.7
[M+NH4]+ 154.15902 154.7
[M+K]+ 175.08836 136.8
[M+H-H2O]+ 119.12246 128.3
[M+HCOO]- 181.12340 153.8
[M+CH3COO]- 195.13905 177.0
[M+Na-2H]- 157.09987 135.4
[M]+ 136.12465 131.9
[M]- 136.12575 131.9
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

No patent data available for this compound.