CID 77370

1,6-dimethyl-1,5-cyclooctadiene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.