CID 10176834

(e,e)-3,7,11-trimethyldodeca-1,4,6,10-tetraen-3-ol

Structural Information

Molecular Formula
C15H24O
SMILES
CC(=CCC/C(=C/C=C/C(C)(C=C)O)/C)C
InChI
InChI=1S/C15H24O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,8-9,11-12,16H,1,7,10H2,2-5H3/b12-8+,14-11+
InChIKey
UIMSQVVHHIUQOZ-ZZAMHKPASA-N
Compound name
(4E,6E)-3,7,11-trimethyldodeca-1,4,6,10-tetraen-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

220.18271 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 157.2
[M+Na]+ 243.171928 161.9
[M-H]- 219.175434 155.3
[M+NH4]+ 238.216533 175.3
[M+K]+ 259.145868 157.8
[M+H-H2O]+ 203.179970 152.9
[M+HCOO]- 265.180911 174.3
[M+CH3COO]- 279.196561 189.9
[M+Na-2H]- 241.157376 157.5
[M]+ 220.18216142 156.7
[M]- 220.18325858 156.7
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