CID 13466480

2,2-dimethyl-chroman-6-ylamine

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC1(CCC2=C(O1)C=CC(=C2)N)C

InChI

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

InChIKey

ALGAZPMCTIRYFW-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3,4-dihydrochromen-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 177.11537 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]+	178.12265	137.6
[M+Na]+	200.10459	150.7
[M+NH4]+	195.14919	149.0
[M+K]+	216.07853	142.1
[M-H]-	176.10809	142.9
[M+Na-2H]-	198.09004	145.2
[M]+	177.11482	141.2
[M]-	177.11592	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe