CID 6450398

Cyclododecadienol, trimethyl-

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@@H]1C/C=C(/CC/C(=C/CCC[C@@H]1O)/C)\C
InChI
InChI=1S/C15H26O/c1-12-6-4-5-7-15(16)14(3)11-10-13(2)9-8-12/h6,10,14-16H,4-5,7-9,11H2,1-3H3/b12-6+,13-10+/t14-,15+/m1/s1
InChIKey
YOZMYYZFZIDFPE-MDKMTUDGSA-N
Compound name
(1S,2R,4E,8E)-2,5,8-trimethylcyclododeca-4,8-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 152.2
[M+Na]+ 245.18758 157.4
[M-H]- 221.19108 152.2
[M+NH4]+ 240.23218 167.8
[M+K]+ 261.16152 155.3
[M+H-H2O]+ 205.19562 150.0
[M+HCOO]- 267.19656 169.4
[M+CH3COO]- 281.21221 184.7
[M+Na-2H]- 243.17303 152.4
[M]+ 222.19781 145.3
[M]- 222.19891 145.3
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.