CID 167486

Toac

Structural Information

Molecular Formula

C₁₀H₁₉N₂O₃

SMILES

CC1(CC(CC(N1[O])(C)C)(C(=O)O)N)C

InChI

InChI=1S/C10H19N2O3/c1-8(2)5-10(11,7(13)14)6-9(3,4)12(8)15/h5-6,11H2,1-4H3,(H,13,14)

InChIKey

FCTFGDVLBOGMPH-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 65
References: 2
Patents: 215.13957 Da
Monoisotopic Mass: -2.3
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]+	216.14685	145.7
[M+Na]+	238.12879	154.0
[M+NH4]+	233.17339	155.9
[M+K]+	254.10273	145.8
[M-H]-	214.13229	145.3
[M+Na-2H]-	236.11424	152.4
[M]+	215.13902	146.9
[M]-	215.14012	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe