CID 5365897

6,10-dimethylundeca-1,5,9-trien-4-ol

Structural Information

Molecular Formula
C13H22O
SMILES
CC(=CCC/C(=C/C(CC=C)O)/C)C
InChI
InChI=1S/C13H22O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h5,8,10,13-14H,1,6-7,9H2,2-4H3/b12-10+
InChIKey
BGAGVDYLLDRYCL-ZRDIBKRKSA-N
Compound name
(5E)-6,10-dimethylundeca-1,5,9-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

194.16707 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 151.1
[M+Na]+ 217.15629 155.5
[M-H]- 193.15979 149.2
[M+NH4]+ 212.20089 170.0
[M+K]+ 233.13023 152.5
[M+H-H2O]+ 177.16433 146.3
[M+HCOO]- 239.16527 169.0
[M+CH3COO]- 253.18092 186.1
[M+Na-2H]- 215.14174 150.3
[M]+ 194.16652 150.4
[M]- 194.16762 150.4
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

patents stripe