CID 11831047

(r)-sesquilavandulol

Structural Information

Molecular Formula
C15H26O
SMILES
CC(=CCC/C(=C/C[C@@H](CO)C(=C)C)/C)C
InChI
InChI=1S/C15H26O/c1-12(2)7-6-8-14(5)9-10-15(11-16)13(3)4/h7,9,15-16H,3,6,8,10-11H2,1-2,4-5H3/b14-9+/t15-/m0/s1
InChIKey
JTSPVWIYQLSMER-HNRFISLBSA-N
Compound name
(2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 160.1
[M+Na]+ 245.18758 163.5
[M-H]- 221.19108 158.0
[M+NH4]+ 240.23218 177.9
[M+K]+ 261.16152 160.5
[M+H-H2O]+ 205.19562 155.1
[M+HCOO]- 267.19656 176.4
[M+CH3COO]- 281.21221 193.0
[M+Na-2H]- 243.17303 157.0
[M]+ 222.19781 159.5
[M]- 222.19891 159.5
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.