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]+ 235.20564 149.4
[M+Na]+ 257.18758 160.3
[M-H]- 233.19108 153.3
[M+NH4]+ 252.23218 153.7
[M+K]+ 273.16152 155.2
[M+H-H2O]+ 217.19562 145.5
[M+HCOO]- 279.19656 155.2
[M+CH3COO]- 293.21221 156.8
[M+Na-2H]- 255.17303 159.7
[M]+ 234.19781 154.4
[M]- 234.19891 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.