CID 23451420

85665-86-7

Structural Information

Molecular Formula
C16H28
SMILES
CC1C2CC(C(C2)C1(C)C)C3CCCCC3
InChI
InChI=1S/C16H28/c1-11-13-9-14(12-7-5-4-6-8-12)15(10-13)16(11,2)3/h11-15H,4-10H2,1-3H3
InChIKey
CMDLWMRZWLVTBQ-UHFFFAOYSA-N
Compound name
6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

220.2191 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.226376 158.1
[M+Na]+ 243.208318 163.1
[M-H]- 219.211824 163.2
[M+NH4]+ 238.252923 183.8
[M+K]+ 259.182258 159.2
[M+H-H2O]+ 203.216360 153.2
[M+HCOO]- 265.217301 174.1
[M+CH3COO]- 279.232951 169.6
[M+Na-2H]- 241.193766 156.5
[M]+ 220.21855142 152.7
[M]- 220.21964858 152.7
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