CID 151353

Hydroxyalachlor

Structural Information

Molecular Formula
C14H21NO3
SMILES
CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CO
InChI
InChI=1S/C14H21NO3/c1-4-11-7-6-8-12(5-2)14(11)15(10-18-3)13(17)9-16/h6-8,16H,4-5,9-10H2,1-3H3
InChIKey
CEFLNPUKMSWYFB-UHFFFAOYSA-N
Compound name
N-(2,6-diethylphenyl)-2-hydroxy-N-(methoxymethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

24
Patents

251.15215 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 159.3
[M+Na]+ 274.14137 165.3
[M-H]- 250.14487 162.8
[M+NH4]+ 269.18597 176.5
[M+K]+ 290.11531 164.2
[M+H-H2O]+ 234.14941 152.5
[M+HCOO]- 296.15035 182.1
[M+CH3COO]- 310.16600 199.9
[M+Na-2H]- 272.12682 161.3
[M]+ 251.15160 163.4
[M]- 251.15270 163.4
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