CID 11550684

845276-38-2

Structural Information

Molecular Formula

C₁₅H₁₈O₄

SMILES

COC1=C(C2=C(C=CC(O2)C3CC3)C(=C1)CO)OC

InChI

InChI=1S/C15H18O4/c1-17-13-7-10(8-16)11-5-6-12(9-3-4-9)19-14(11)15(13)18-2/h5-7,9,12,16H,3-4,8H2,1-2H3

InChIKey

PGNVWUKZOFCMFC-UHFFFAOYSA-N

Compound name

(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 262.1205 Da
Monoisotopic Mass: 2.1
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]+	263.127776	157.1
[M+Na]+	285.109718	167.3
[M-H]-	261.113224	165.2
[M+NH4]+	280.154323	168.8
[M+K]+	301.083658	164.9
[M+H-H2O]+	245.117760	150.1
[M+HCOO]-	307.118701	176.6
[M+CH3COO]-	321.134351	198.8
[M+Na-2H]-	283.095166	162.5
[M]+	262.11995142	163.7
[M]-	262.12104858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe