CID 340931

Carissanol

Structural Information

Molecular Formula

C₂₀H₂₄O₇

SMILES

COC1=C(C=CC(=C1)CC2COC(C2(CC3=CC(=C(C=C3)O)OC)O)O)O

InChI

InChI=1S/C20H24O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,19,21-24H,7,10-11H2,1-2H3

InChIKey

LHQJDCXEZZAFKD-UHFFFAOYSA-N

Compound name

3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolane-2,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 376.1522 Da
Monoisotopic Mass: 1.9
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]+	377.159476	185.6
[M+Na]+	399.141418	192.5
[M-H]-	375.144924	191.7
[M+NH4]+	394.186023	197.6
[M+K]+	415.115358	190.1
[M+H-H2O]+	359.149460	179.1
[M+HCOO]-	421.150401	201.4
[M+CH3COO]-	435.166051	209.3
[M+Na-2H]-	397.126866	185.5
[M]+	376.15165142	188.5
[M]-	376.15274858	188.5

Literature stripe

literature stripe

Patent stripe

patents stripe