CID 18724338

Bpebch

Structural Information

Molecular Formula
C18H30
SMILES
C/C=C/C1CCC(CC1)C2CCC(CC2)/C=C/C
InChI
InChI=1S/C18H30/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3-6,15-18H,7-14H2,1-2H3/b5-3+,6-4+
InChIKey
INDIWWBFPCCGNS-GGWOSOGESA-N
Compound name
1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

246.23476 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.24204 164.8
[M+Na]+ 269.22398 166.1
[M-H]- 245.22748 169.1
[M+NH4]+ 264.26858 181.9
[M+K]+ 285.19792 161.4
[M+H-H2O]+ 229.23202 157.5
[M+HCOO]- 291.23296 179.5
[M+CH3COO]- 305.24861 195.6
[M+Na-2H]- 267.20943 163.2
[M]+ 246.23421 155.8
[M]- 246.23531 155.8
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

patents stripe