CID 5284454

Sarcophytol a

Structural Information

Molecular Formula
C20H32O
SMILES
C/C/1=C\CC/C(=C/C=C(\[C@H](C/C(=C/CC1)/C)O)/C(C)C)/C
InChI
InChI=1S/C20H32O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h8,11-13,15,20-21H,6-7,9-10,14H2,1-5H3/b16-8+,17-12+,18-11+,19-13-/t20-/m0/s1
InChIKey
YADVRLOQIWILGX-MIWLTHJTSA-N
Compound name
(1S,2Z,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

5966
Patents

288.24533 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.252606 170.1
[M+Na]+ 311.234548 175.4
[M-H]- 287.238054 170.9
[M+NH4]+ 306.279153 183.2
[M+K]+ 327.208488 172.3
[M+H-H2O]+ 271.242590 167.5
[M+HCOO]- 333.243531 186.7
[M+CH3COO]- 347.259181 198.8
[M+Na-2H]- 309.219996 167.5
[M]+ 288.24478142 165.2
[M]- 288.24587858 165.2
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