CID 3020848

2-(dimethylamino)-2-phenylbutyric acid

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CCC(C1=CC=CC=C1)(C(=O)O)N(C)C

InChI

InChI=1S/C12H17NO2/c1-4-12(11(14)15,13(2)3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,15)

InChIKey

HORDSXJPSRJTJV-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-2-phenylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 121
Patents: 207.12593 Da
Monoisotopic Mass: 0.0
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]+	208.133206	147.1
[M+Na]+	230.115148	152.5
[M-H]-	206.118654	150.5
[M+NH4]+	225.159753	165.6
[M+K]+	246.089088	151.7
[M+H-H2O]+	190.123190	141.1
[M+HCOO]-	252.124131	168.8
[M+CH3COO]-	266.139781	190.4
[M+Na-2H]-	228.100596	152.3
[M]+	207.12538142	147.8
[M]-	207.12647858	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe