CID 6434518

Isobutyllinalool

Structural Information

Molecular Formula
C13H24O
SMILES
CC(C)C/C(=C/CCC(C)(C=C)O)/C
InChI
InChI=1S/C13H24O/c1-6-13(5,14)9-7-8-12(4)10-11(2)3/h6,8,11,14H,1,7,9-10H2,2-5H3/b12-8+
InChIKey
XVNDKDXSDQQJTO-XYOKQWHBSA-N
Compound name
(6E)-3,7,9-trimethyldeca-1,6-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

368
Patents

196.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 151.2
[M+Na]+ 219.171928 155.9
[M-H]- 195.175434 149.5
[M+NH4]+ 214.216533 170.3
[M+K]+ 235.145868 153.6
[M+H-H2O]+ 179.179970 147.0
[M+HCOO]- 241.180911 168.4
[M+CH3COO]- 255.196561 187.1
[M+Na-2H]- 217.157376 152.4
[M]+ 196.18216142 151.5
[M]- 196.18325858 151.5
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

patents stripe