CID 23391151

2pmechpa

Structural Information

Molecular Formula
C23H26
SMILES
CCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3CCC(CC3)C
InChI
InChI=1S/C23H26/c1-3-19-6-8-20(9-7-19)10-11-21-12-16-23(17-13-21)22-14-4-18(2)5-15-22/h6-9,12-13,16-18,22H,3-5,14-15H2,1-2H3
InChIKey
XEBMDTBTHWFNMC-UHFFFAOYSA-N
Compound name
1-ethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

302.20346 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.21074 178.2
[M+Na]+ 325.19268 186.2
[M-H]- 301.19618 183.9
[M+NH4]+ 320.23728 191.3
[M+K]+ 341.16662 176.0
[M+H-H2O]+ 285.20072 163.8
[M+HCOO]- 347.20166 191.3
[M+CH3COO]- 361.21731 186.5
[M+Na-2H]- 323.17813 177.6
[M]+ 302.20291 168.6
[M]- 302.20401 168.6
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