CID 76606196

2-methoxy-2-methyl-1-phenylpropan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC(C)(C(C1=CC=CC=C1)N)OC

InChI

InChI=1S/C11H17NO/c1-11(2,13-3)10(12)9-7-5-4-6-8-9/h4-8,10H,12H2,1-3H3

InChIKey

TWHLTZMRVCGXTQ-UHFFFAOYSA-N

Compound name

2-methoxy-2-methyl-1-phenylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 179.13101 Da
Monoisotopic Mass: 1.3
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]+	180.13829	141.3
[M+Na]+	202.12023	147.2
[M-H]-	178.12373	144.3
[M+NH4]+	197.16483	160.8
[M+K]+	218.09417	145.8
[M+H-H2O]+	162.12827	135.6
[M+HCOO]-	224.12921	163.3
[M+CH3COO]-	238.14486	184.7
[M+Na-2H]-	200.10568	147.0
[M]+	179.13046	140.5
[M]-	179.13156	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe