CID 11044431

15-hydroxycembra-1,3,7,11-tetraene

Structural Information

Molecular Formula
C20H32O
SMILES
C/C/1=C\CC/C(=C/C=C(\CC/C(=C/CC1)/C)/C(C)(C)O)/C
InChI
InChI=1S/C20H32O/c1-16-8-6-10-17(2)12-14-19(20(4,5)21)15-13-18(3)11-7-9-16/h8,11-12,14,21H,6-7,9-10,13,15H2,1-5H3/b16-8+,17-12+,18-11+,19-14+
InChIKey
ZMOGGFHLMLYADA-CAJARFHCSA-N
Compound name
2-[(1E,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-1,3,7,11-tetraen-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.24533 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 169.6
[M+Na]+ 311.23455 174.8
[M-H]- 287.23805 170.3
[M+NH4]+ 306.27915 182.6
[M+K]+ 327.20849 171.7
[M+H-H2O]+ 271.24259 167.4
[M+HCOO]- 333.24353 185.7
[M+CH3COO]- 347.25918 197.2
[M+Na-2H]- 309.22000 169.8
[M]+ 288.24478 164.5
[M]- 288.24588 164.5
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

No patent data available for this compound.