CID 109188

Einecs 268-847-0

Structural Information

Molecular Formula
C16H26O
SMILES
CC1(C2CC(C(C2)C1=C)C3CCCC(C3)O)C
InChI
InChI=1S/C16H26O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h11-15,17H,1,4-9H2,2-3H3
InChIKey
WAOIYASNEPKFIG-UHFFFAOYSA-N
Compound name
3-(5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

234.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 159.8
[M+Na]+ 257.18758 165.7
[M-H]- 233.19108 164.0
[M+NH4]+ 252.23218 184.5
[M+K]+ 273.16152 160.7
[M+H-H2O]+ 217.19562 155.9
[M+HCOO]- 279.19656 174.7
[M+CH3COO]- 293.21221 191.9
[M+Na-2H]- 255.17303 157.7
[M]+ 234.19781 153.9
[M]- 234.19891 153.9
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