CID 3015693

34604-56-3

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

CCNCC(=O)NC1=C(C=CC(=C1C)O)C

InChI

InChI=1S/C12H18N2O2/c1-4-13-7-11(16)14-12-8(2)5-6-10(15)9(12)3/h5-6,13,15H,4,7H2,1-3H3,(H,14,16)

InChIKey

YITCMQBVWIHTTA-UHFFFAOYSA-N

Compound name

2-(ethylamino)-N-(3-hydroxy-2,6-dimethylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 9
Patents: 222.13683 Da
Monoisotopic Mass: 1.0
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]+	223.14411	151.3
[M+Na]+	245.12605	158.1
[M-H]-	221.12955	154.0
[M+NH4]+	240.17065	169.0
[M+K]+	261.09999	155.5
[M+H-H2O]+	205.13409	145.0
[M+HCOO]-	267.13503	175.0
[M+CH3COO]-	281.15068	194.7
[M+Na-2H]-	243.11150	154.5
[M]+	222.13628	151.5
[M]-	222.13738	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe