CID 14573053

104835-82-7

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

CC1=CC(=CC(=C1O)C)CNC(=O)C(=C)C

InChI

InChI=1S/C13H17NO2/c1-8(2)13(16)14-7-11-5-9(3)12(15)10(4)6-11/h5-6,15H,1,7H2,2-4H3,(H,14,16)

InChIKey

YKOPNUQPGUPYFM-UHFFFAOYSA-N

Compound name

N-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 248
Patents: 219.12593 Da
Monoisotopic Mass: 2.4
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]+	220.133206	150.0
[M+Na]+	242.115148	157.3
[M-H]-	218.118654	152.8
[M+NH4]+	237.159753	168.1
[M+K]+	258.089088	154.4
[M+H-H2O]+	202.123190	144.3
[M+HCOO]-	264.124131	171.6
[M+CH3COO]-	278.139781	192.7
[M+Na-2H]-	240.100596	151.3
[M]+	219.12538142	150.0
[M]-	219.12647858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe