CID 171121376

Ximaosarcophytol a

Structural Information

Molecular Formula
C20H32O2
SMILES
C/C/1=C\CCC(=C)/C=C/[C@@](CC/C(=C/CC1)/C)(C(C)(C)O)O
InChI
InChI=1S/C20H32O2/c1-16-8-6-10-17(2)12-14-20(22,19(4,5)21)15-13-18(3)11-7-9-16/h8,11-12,14,21-22H,2,6-7,9-10,13,15H2,1,3-5H3/b14-12+,16-8+,18-11+/t20-/m1/s1
InChIKey
BNIVTRCVVDILPN-ZMDNBJCBSA-N
Compound name
(1S,2E,7E,11E)-1-(2-hydroxypropan-2-yl)-8,12-dimethyl-4-methylidenecyclotetradeca-2,7,11-trien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.24023 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 174.3
[M+Na]+ 327.22945 179.2
[M-H]- 303.23295 173.6
[M+NH4]+ 322.27405 187.8
[M+K]+ 343.20339 175.7
[M+H-H2O]+ 287.23749 173.1
[M+HCOO]- 349.23843 187.8
[M+CH3COO]- 363.25408 195.8
[M+Na-2H]- 325.21490 174.4
[M]+ 304.23968 167.1
[M]- 304.24078 167.1
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

No patent data available for this compound.