CID 19694020

50807-15-3

Structural Information

Molecular Formula
C15H28O
SMILES
CC(C)(C1CCCCC1)C2CCC(CC2)O
InChI
InChI=1S/C15H28O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h12-14,16H,3-11H2,1-2H3
InChIKey
SOEDCPFFUZMBNX-UHFFFAOYSA-N
Compound name
4-(2-cyclohexylpropan-2-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

224.21402 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.22130 157.2
[M+Na]+ 247.20324 158.1
[M-H]- 223.20674 160.4
[M+NH4]+ 242.24784 174.2
[M+K]+ 263.17718 155.4
[M+H-H2O]+ 207.21128 150.9
[M+HCOO]- 269.21222 169.7
[M+CH3COO]- 283.22787 188.2
[M+Na-2H]- 245.18869 158.3
[M]+ 224.21347 147.5
[M]- 224.21457 147.5
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