CID 115523350

1909326-09-5

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC1=CC(=CC(=C1CC(=O)O)C)N(C)C

InChI

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

InChIKey

XAZOGGQSYUTPDR-UHFFFAOYSA-N

Compound name

2-[4-(dimethylamino)-2,6-dimethylphenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.12593 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]+	208.133206	145.8
[M+Na]+	230.115148	153.6
[M-H]-	206.118654	150.1
[M+NH4]+	225.159753	165.1
[M+K]+	246.089088	152.5
[M+H-H2O]+	190.123190	139.9
[M+HCOO]-	252.124131	169.0
[M+CH3COO]-	266.139781	193.7
[M+Na-2H]-	228.100596	148.2
[M]+	207.12538142	148.1
[M]-	207.12647858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.