CID 42431

2-methyl-2h-chromene-3-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

CC1C(=CC2=CC=CC=C2O1)C=O

InChI

InChI=1S/C11H10O2/c1-8-10(7-12)6-9-4-2-3-5-11(9)13-8/h2-8H,1H3

InChIKey

XVXWDVISFYVJQD-UHFFFAOYSA-N

Compound name

2-methyl-2H-chromene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 174.06808 Da
Monoisotopic Mass: 1.8
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]+	175.07536	132.8
[M+Na]+	197.05730	142.1
[M-H]-	173.06080	138.4
[M+NH4]+	192.10190	153.2
[M+K]+	213.03124	140.6
[M+H-H2O]+	157.06534	127.1
[M+HCOO]-	219.06628	155.0
[M+CH3COO]-	233.08193	180.5
[M+Na-2H]-	195.04275	141.9
[M]+	174.06753	134.4
[M]-	174.06863	134.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.