CID 121232759

Ns00019724

Structural Information

Molecular Formula
C14H22
SMILES
CC=CC(=C)C1C(=CCCC1(C)C)C
InChI
InChI=1S/C14H22/c1-6-8-11(2)13-12(3)9-7-10-14(13,4)5/h6,8-9,13H,2,7,10H2,1,3-5H3
InChIKey
CESGWWJQUBISDW-UHFFFAOYSA-N
Compound name
1,5,5-trimethyl-6-penta-1,3-dien-2-ylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.17215 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.179426 144.2
[M+Na]+ 213.161368 150.7
[M-H]- 189.164874 147.6
[M+NH4]+ 208.205973 166.4
[M+K]+ 229.135308 147.7
[M+H-H2O]+ 173.169410 139.7
[M+HCOO]- 235.170351 163.7
[M+CH3COO]- 249.186001 187.5
[M+Na-2H]- 211.146816 146.6
[M]+ 190.17160142 142.0
[M]- 190.17269858 142.0
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.