CID 73815070

Perilloside c

Structural Information

Molecular Formula

C₁₆H₂₈O₆

SMILES

CC(=C)C1CCC(CC1)COC2C(C(C(C(O2)CO)O)O)O

InChI

InChI=1S/C16H28O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h10-20H,1,3-8H2,2H3

InChIKey

MONAHUOUARCHLM-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-[(4-prop-1-en-2-ylcyclohexyl)methoxy]oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 316.1886 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	317.19588	176.1
[M+Na]+	339.17782	178.1
[M-H]-	315.18132	176.7
[M+NH4]+	334.22242	186.4
[M+K]+	355.15176	176.2
[M+H-H2O]+	299.18586	169.8
[M+HCOO]-	361.18680	184.3
[M+CH3COO]-	375.20245	200.3
[M+Na-2H]-	337.16327	172.1
[M]+	316.18805	170.1
[M]-	316.18915	170.1

Literature stripe

literature stripe

Patent stripe

patents stripe