CID 636576

Mansorin b

Structural Information

Molecular Formula

C₁₄H₁₆O₃

SMILES

CC1=CC2=C(C(=CC(=C2C(C)C)O)C)OC1=O

InChI

InChI=1S/C14H16O3/c1-7(2)12-10-5-9(4)14(16)17-13(10)8(3)6-11(12)15/h5-7,15H,1-4H3

InChIKey

VAOZKYYIOZFKKZ-UHFFFAOYSA-N

Compound name

6-hydroxy-3,8-dimethyl-5-propan-2-ylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 232.10994 Da
Monoisotopic Mass: 3.4
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]+	233.117216	148.9
[M+Na]+	255.099158	159.9
[M-H]-	231.102664	154.2
[M+NH4]+	250.143763	167.2
[M+K]+	271.073098	157.9
[M+H-H2O]+	215.107200	143.5
[M+HCOO]-	277.108141	169.1
[M+CH3COO]-	291.123791	193.6
[M+Na-2H]-	253.084606	153.6
[M]+	232.10939142	153.3
[M]-	232.11048858	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe