CID 115839

64611-88-7

Structural Information

Molecular Formula
C15H28O
SMILES
CC(C)CCCC(=CCCC(C)(C=C)O)C
InChI
InChI=1S/C15H28O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,11,13,16H,1,7-10,12H2,2-5H3
InChIKey
RAYSJZWIMVHXOA-UHFFFAOYSA-N
Compound name
3,7,11-trimethyldodeca-1,6-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

224.21402 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.22130 160.5
[M+Na]+ 247.20324 164.4
[M-H]- 223.20674 158.4
[M+NH4]+ 242.24784 178.4
[M+K]+ 263.17718 161.5
[M+H-H2O]+ 207.21128 155.9
[M+HCOO]- 269.21222 177.1
[M+CH3COO]- 283.22787 193.2
[M+Na-2H]- 245.18869 160.6
[M]+ 224.21347 161.6
[M]- 224.21457 161.6
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