CID 5320249

Alpha-ocimene

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

40
References

12222
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 134.5
[M+Na]+ 159.11442 144.8
[M+NH4]+ 154.15902 142.3
[M+K]+ 175.08836 138.2
[M-H]- 135.11792 134.0
[M+Na-2H]- 157.09987 137.6
[M]+ 136.12465 135.6
[M]- 136.12575 135.6
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