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

14221
Patents

136.1252 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 132.6
[M+Na]+ 159.114418 138.9
[M-H]- 135.117924 132.7
[M+NH4]+ 154.159023 154.7
[M+K]+ 175.088358 136.8
[M+H-H2O]+ 119.122460 128.3
[M+HCOO]- 181.123401 153.8
[M+CH3COO]- 195.139051 177.0
[M+Na-2H]- 157.099866 135.4
[M]+ 136.12465142 131.9
[M]- 136.12574858 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

literature stripe

Patent stripe

patents stripe