CID 71296186

Kunzeaol

Structural Information

Molecular Formula
C15H26O
SMILES
C/C/1=C\CC/C(=C/[C@@H]([C@H](CC1)C(C)C)O)/C
InChI
InChI=1S/C15H26O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,10-11,14-16H,5,7-9H2,1-4H3/b12-6+,13-10+/t14-,15+/m1/s1
InChIKey
PXMCURAOQSNMOZ-MDKMTUDGSA-N
Compound name
(1R,2E,6E,10R)-3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

222.19836 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 152.2
[M+Na]+ 245.18758 157.7
[M-H]- 221.19108 151.8
[M+NH4]+ 240.23218 168.1
[M+K]+ 261.16152 155.9
[M+H-H2O]+ 205.19562 150.1
[M+HCOO]- 267.19656 169.4
[M+CH3COO]- 281.21221 187.7
[M+Na-2H]- 243.17303 151.5
[M]+ 222.19781 147.2
[M]- 222.19891 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe