CID 76916

3383-30-0

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC1=CC(=C(C=C1NC(=O)C)C(C)C)O

InChI

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

InChIKey

XQDPWBPPHDJTSP-UHFFFAOYSA-N

Compound name

N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 207.12593 Da
Monoisotopic Mass: 1.4
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	146.8
[M+Na]+	230.115148	154.3
[M-H]-	206.118654	149.8
[M+NH4]+	225.159753	165.5
[M+K]+	246.089088	152.3
[M+H-H2O]+	190.123190	141.3
[M+HCOO]-	252.124131	168.6
[M+CH3COO]-	266.139781	190.5
[M+Na-2H]-	228.100596	148.6
[M]+	207.12538142	147.2
[M]-	207.12647858	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe