CID 217216

38322-50-8

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC1=CC2=C(C=C1C)OCC(C2)N

InChI

InChI=1S/C11H15NO/c1-7-3-9-5-10(12)6-13-11(9)4-8(7)2/h3-4,10H,5-6,12H2,1-2H3

InChIKey

YHRWZQRLMPIQBX-UHFFFAOYSA-N

Compound name

6,7-dimethyl-3,4-dihydro-2H-chromen-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 177.11537 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]+	178.122646	137.9
[M+Na]+	200.104588	146.1
[M-H]-	176.108094	142.9
[M+NH4]+	195.149193	158.0
[M+K]+	216.078528	144.4
[M+H-H2O]+	160.112630	132.2
[M+HCOO]-	222.113571	158.6
[M+CH3COO]-	236.129221	185.1
[M+Na-2H]-	198.090036	144.4
[M]+	177.11482142	136.0
[M]-	177.11591858	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe