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

724
Patents

136.1252 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 140.7
[M+Na]+ 159.114418 145.6
[M-H]- 135.117924 142.6
[M+NH4]+ 154.159023 150.7
[M+K]+ 175.088358 146.0
[M+H-H2O]+ 119.122460 137.5
[M+HCOO]- 181.123401 150.8
[M+CH3COO]- 195.139051 219.0
[M+Na-2H]- 157.099866 141.9
[M]+ 136.12465142 139.8
[M]- 136.12574858 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

literature stripe

Patent stripe

patents stripe