CID 101618281

(3z,7z,11z)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-3,7,11-trien-1-ol

Structural Information

Molecular Formula
C20H34O
SMILES
C/C/1=C/CC/C(=C\CC(CC/C(=C\CC1)/C)(C(C)C)O)/C
InChI
InChI=1S/C20H34O/c1-16(2)20(21)14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,16,21H,6-7,9-10,13-15H2,1-5H3/b17-8-,18-12-,19-11-
InChIKey
ZVWXZFYWLABNOW-XBMWAWDJSA-N
Compound name
(3Z,7Z,11Z)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-3,7,11-trien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

290.26096 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.268236 172.3
[M+Na]+ 313.250178 176.6
[M-H]- 289.253684 172.7
[M+NH4]+ 308.294783 186.9
[M+K]+ 329.224118 174.0
[M+H-H2O]+ 273.258220 170.3
[M+HCOO]- 335.259161 187.4
[M+CH3COO]- 349.274811 197.6
[M+Na-2H]- 311.235626 170.4
[M]+ 290.26041142 165.8
[M]- 290.26150858 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe