CID 600670

Lomatin

Structural Information

Molecular Formula

C₁₄H₁₄O₄

SMILES

CC1(C(CC2=C(O1)C=CC3=C2OC(=O)C=C3)O)C

InChI

InChI=1S/C14H14O4/c1-14(2)11(15)7-9-10(18-14)5-3-8-4-6-12(16)17-13(8)9/h3-6,11,15H,7H2,1-2H3

InChIKey

UJSHBYQGQRPVNO-UHFFFAOYSA-N

Compound name

9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 45
Patents: 246.0892 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]+	247.09648	150.5
[M+Na]+	269.07842	161.1
[M-H]-	245.08192	156.8
[M+NH4]+	264.12302	169.2
[M+K]+	285.05236	160.1
[M+H-H2O]+	229.08646	144.4
[M+HCOO]-	291.08740	167.7
[M+CH3COO]-	305.10305	163.9
[M+Na-2H]-	267.06387	159.9
[M]+	246.08865	153.3
[M]-	246.08975	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe