CID 18685

3289-00-7

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC(C)(C)C1=CC=C(C=C1)CC(=O)NO

InChI

InChI=1S/C12H17NO2/c1-12(2,3)10-6-4-9(5-7-10)8-11(14)13-15/h4-7,15H,8H2,1-3H3,(H,13,14)

InChIKey

TXCTURVQEPLVTE-UHFFFAOYSA-N

Compound name

2-(4-tert-butylphenyl)-N-hydroxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 207.12593 Da
Monoisotopic Mass: 2.3
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]+	208.133206	147.7
[M+Na]+	230.115148	154.0
[M-H]-	206.118654	150.1
[M+NH4]+	225.159753	166.0
[M+K]+	246.089088	151.9
[M+H-H2O]+	190.123190	142.2
[M+HCOO]-	252.124131	168.9
[M+CH3COO]-	266.139781	186.8
[M+Na-2H]-	228.100596	152.9
[M]+	207.12538142	147.3
[M]-	207.12647858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe