CID 6437289

68039-25-8

Structural Information

Molecular Formula
C16H26O
SMILES
C/C/1=C/C/C=C(\C2CC(C2CC1)(C)C)/CCO
InChI
InChI=1S/C16H26O/c1-12-5-4-6-13(9-10-17)14-11-16(2,3)15(14)8-7-12/h5-6,14-15,17H,4,7-11H2,1-3H3/b12-5-,13-6-
InChIKey
NCTFJDPCYOHLOD-VFWKFLPVSA-N
Compound name
2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.19836 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 149.4
[M+Na]+ 257.187578 160.3
[M-H]- 233.191084 153.3
[M+NH4]+ 252.232183 153.7
[M+K]+ 273.161518 155.2
[M+H-H2O]+ 217.195620 145.5
[M+HCOO]- 279.196561 155.2
[M+CH3COO]- 293.212211 156.8
[M+Na-2H]- 255.173026 159.7
[M]+ 234.19781142 154.4
[M]- 234.19890858 154.4
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.