CID 519872

Santolina triene

Structural Information

Molecular Formula
C10H16
SMILES
CC(=CC(C=C)C(=C)C)C
InChI
InChI=1S/C10H16/c1-6-10(9(4)5)7-8(2)3/h6-7,10H,1,4H2,2-3,5H3
InChIKey
ZQGDEJAPCUGBRH-UHFFFAOYSA-N
Compound name
3-ethenyl-2,5-dimethylhexa-1,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

136.1252 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 132.2
[M+Na]+ 159.114418 138.2
[M-H]- 135.117924 132.4
[M+NH4]+ 154.159023 154.1
[M+K]+ 175.088358 136.6
[M+H-H2O]+ 119.122460 128.0
[M+HCOO]- 181.123401 152.4
[M+CH3COO]- 195.139051 178.5
[M+Na-2H]- 157.099866 133.8
[M]+ 136.12465142 131.0
[M]- 136.12574858 131.0
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.