CID 139585071

Koshikalide

Structural Information

Molecular Formula
C17H26O4
SMILES
C/C/1=C/C/C(=C\C(=O)O[C@H](C[C@@H](C=CCC1)OC)CO)/C
InChI
InChI=1S/C17H26O4/c1-13-6-4-5-7-15(20-3)11-16(12-18)21-17(19)10-14(2)9-8-13/h5,7-8,10,15-16,18H,4,6,9,11-12H2,1-3H3/b7-5?,13-8-,14-10-/t15-,16-/m1/s1
InChIKey
QFQKOFIKPPGGPV-NKXUIWCXSA-N
Compound name
(3Z,6Z,12S,14R)-14-(hydroxymethyl)-12-methoxy-4,7-dimethyl-1-oxacyclotetradeca-3,6,10-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1831 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.19038 167.2
[M+Na]+ 317.17232 173.3
[M-H]- 293.17582 168.8
[M+NH4]+ 312.21692 178.5
[M+K]+ 333.14626 172.6
[M+H-H2O]+ 277.18036 164.6
[M+HCOO]- 339.18130 184.3
[M+CH3COO]- 353.19695 194.9
[M+Na-2H]- 315.15777 167.5
[M]+ 294.18255 164.7
[M]- 294.18365 164.7
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.