CID 5743437

34564-06-2

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

CC(=O)CC(C)(C)NC(=O)C1CO1

InChI

InChI=1S/C9H15NO3/c1-6(11)4-9(2,3)10-8(12)7-5-13-7/h7H,4-5H2,1-3H3,(H,10,12)

InChIKey

DPJLQTWQGJDAPI-UHFFFAOYSA-N

Compound name

N-(2-methyl-4-oxopentan-2-yl)oxirane-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 185.1052 Da
Monoisotopic Mass: -0.5
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]+	186.112476	140.6
[M+Na]+	208.094418	148.3
[M-H]-	184.097924	145.9
[M+NH4]+	203.139023	154.2
[M+K]+	224.068358	148.0
[M+H-H2O]+	168.102460	134.8
[M+HCOO]-	230.103401	161.4
[M+CH3COO]-	244.119051	188.1
[M+Na-2H]-	206.079866	146.4
[M]+	185.10465142	145.3
[M]-	185.10574858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe