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

1
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

patents stripe