CID 44149651

94231-55-7

Structural Information

Molecular Formula
C15H28O
SMILES
CCCC(CCC1CCC2CC1C2(C)C)O
InChI
InChI=1S/C15H28O/c1-4-5-13(16)9-7-11-6-8-12-10-14(11)15(12,2)3/h11-14,16H,4-10H2,1-3H3
InChIKey
KHBHMJKIAFOZKG-UHFFFAOYSA-N
Compound name
1-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)hexan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.21402 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.22130 154.9
[M+Na]+ 247.20324 159.4
[M+NH4]+ 242.24784 162.2
[M+K]+ 263.17718 152.5
[M-H]- 223.20674 150.7
[M+Na-2H]- 245.18869 151.2
[M]+ 224.21347 153.3
[M]- 224.21457 153.3
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

No patent data available for this compound.