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]+ 247.242036 164.8
[M+Na]+ 269.223978 166.1
[M-H]- 245.227484 169.1
[M+NH4]+ 264.268583 181.9
[M+K]+ 285.197918 161.4
[M+H-H2O]+ 229.232020 157.5
[M+HCOO]- 291.232961 179.5
[M+CH3COO]- 305.248611 195.6
[M+Na-2H]- 267.209426 163.2
[M]+ 246.23421142 155.8
[M]- 246.23530858 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