CID 22833340

Dodecahydroterphenyl

Structural Information

Molecular Formula
C18H22
SMILES
C1CC=CC(C1)C2=CC=C(C=C2)C3CCC=CC3
InChI
InChI=1S/C18H22/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1,3,5,9,11-16H,2,4,6-8,10H2
InChIKey
TVBYFUMVFJKKNJ-UHFFFAOYSA-N
Compound name
1-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

238.17215 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17943 156.8
[M+Na]+ 261.16137 159.8
[M-H]- 237.16487 164.8
[M+NH4]+ 256.20597 173.4
[M+K]+ 277.13531 155.0
[M+H-H2O]+ 221.16941 148.2
[M+HCOO]- 283.17035 175.4
[M+CH3COO]- 297.18600 167.4
[M+Na-2H]- 259.14682 160.3
[M]+ 238.17160 149.1
[M]- 238.17270 149.1
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

patents stripe