CID 3068349

6-aminomethyl-6h-dibenzo(b,d)pyran

Structural Information

Molecular Formula

C₁₄H₁₃NO

SMILES

C1=CC=C2C(=C1)C(OC3=CC=CC=C23)CN

InChI

InChI=1S/C14H13NO/c15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16-14/h1-8,14H,9,15H2

InChIKey

BHRGBYWGRLOFNP-UHFFFAOYSA-N

Compound name

6H-benzo[c]chromen-6-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 211.09972 Da
Monoisotopic Mass: 2.2
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]+	212.10700	143.7
[M+Na]+	234.08894	152.0
[M-H]-	210.09244	149.3
[M+NH4]+	229.13354	162.9
[M+K]+	250.06288	148.6
[M+H-H2O]+	194.09698	136.9
[M+HCOO]-	256.09792	164.6
[M+CH3COO]-	270.11357	156.7
[M+Na-2H]-	232.07439	153.4
[M]+	211.09917	142.6
[M]-	211.10027	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe