CID 162686

2-hydroxy-2',6'-diethylacetanilide

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)CO
InChI
InChI=1S/C12H17NO2/c1-3-9-6-5-7-10(4-2)12(9)13-11(15)8-14/h5-7,14H,3-4,8H2,1-2H3,(H,13,15)
InChIKey
JQQZSHMUVAYCDW-UHFFFAOYSA-N
Compound name
N-(2,6-diethylphenyl)-2-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

207.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.4
[M+Na]+ 230.11515 154.1
[M-H]- 206.11865 149.8
[M+NH4]+ 225.15975 165.8
[M+K]+ 246.08909 151.5
[M+H-H2O]+ 190.12319 141.4
[M+HCOO]- 252.12413 170.1
[M+CH3COO]- 266.13978 188.3
[M+Na-2H]- 228.10060 151.1
[M]+ 207.12538 148.0
[M]- 207.12648 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe