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
2
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 171.6
[M+Na]+ 247.20324 174.4
[M-H]- 223.20674 168.7
[M+NH4]+ 242.24784 189.1
[M+K]+ 263.17718 174.3
[M+H-H2O]+ 207.21128 163.1
[M+HCOO]- 269.21222 180.6
[M+CH3COO]- 283.22787 199.4
[M+Na-2H]- 245.18869 176.1
[M]+ 224.21347 182.5
[M]- 224.21457 182.5
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

No patent data available for this compound.