CID 12914867

4-(aminomethyl)chroman-4-ol

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1COC2=CC=CC=C2C1(CN)O

InChI

InChI=1S/C10H13NO2/c11-7-10(12)5-6-13-9-4-2-1-3-8(9)10/h1-4,12H,5-7,11H2

InChIKey

LJIMCZDPGHYLKP-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-2,3-dihydrochromen-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 179.09464 Da
Monoisotopic Mass: 0.1
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]+	180.10192	137.1
[M+Na]+	202.08386	148.9
[M+NH4]+	197.12846	147.7
[M+K]+	218.05780	141.2
[M-H]-	178.08736	141.3
[M+Na-2H]-	200.06931	144.0
[M]+	179.09409	140.1
[M]-	179.09519	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe