CID 5365758

1,5-dimethyl-1,5-cyclooctadiene

Structural Information

Molecular Formula
C10H16
SMILES
C/C/1=C/CC/C(=C\CC1)/C
InChI
InChI=1S/C10H16/c1-9-5-3-7-10(2)8-4-6-9/h5,8H,3-4,6-7H2,1-2H3/b9-5-,10-8-
InChIKey
RYOGZVTWMZNTGL-UDRCNDPASA-N
Compound name
(1Z,5Z)-1,5-dimethylcycloocta-1,5-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

721
Patents

136.1252 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 140.7
[M+Na]+ 159.11442 145.6
[M-H]- 135.11792 142.6
[M+NH4]+ 154.15902 150.7
[M+K]+ 175.08836 146.0
[M+H-H2O]+ 119.12246 137.5
[M+HCOO]- 181.12340 150.8
[M+CH3COO]- 195.13905 219.0
[M+Na-2H]- 157.09987 141.9
[M]+ 136.12465 139.8
[M]- 136.12575 139.8
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.