CID 20594849

Pemebch

Structural Information

Molecular Formula
C16H28
SMILES
C/C=C/C1CCC(CC1)C2CCC(CC2)C
InChI
InChI=1S/C16H28/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15/h3-4,13-16H,5-12H2,1-2H3/b4-3+
InChIKey
KNNWENQALDQCQE-ONEGZZNKSA-N
Compound name
1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

445
Patents

220.2191 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.22638 157.1
[M+Na]+ 243.20832 158.8
[M-H]- 219.21182 161.6
[M+NH4]+ 238.25292 175.2
[M+K]+ 259.18226 155.2
[M+H-H2O]+ 203.21636 150.1
[M+HCOO]- 265.21730 172.3
[M+CH3COO]- 279.23295 191.1
[M+Na-2H]- 241.19377 156.5
[M]+ 220.21855 148.1
[M]- 220.21965 148.1
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