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]+ 221.226376 157.1
[M+Na]+ 243.208318 158.8
[M-H]- 219.211824 161.6
[M+NH4]+ 238.252923 175.2
[M+K]+ 259.182258 155.2
[M+H-H2O]+ 203.216360 150.1
[M+HCOO]- 265.217301 172.3
[M+CH3COO]- 279.232951 191.1
[M+Na-2H]- 241.193766 156.5
[M]+ 220.21855142 148.1
[M]- 220.21964858 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