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
1
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]+ 221.18999 157.2
[M+Na]+ 243.17193 161.9
[M-H]- 219.17543 155.3
[M+NH4]+ 238.21653 175.3
[M+K]+ 259.14587 157.8
[M+H-H2O]+ 203.17997 152.9
[M+HCOO]- 265.18091 174.3
[M+CH3COO]- 279.19656 189.9
[M+Na-2H]- 241.15738 157.5
[M]+ 220.18216 156.7
[M]- 220.18326 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