CID 57566

1-aziridinepropionic acid, 2,2-dimethylpropyl ester

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CC(C)(C)COC(=O)CCN1CC1

InChI

InChI=1S/C10H19NO2/c1-10(2,3)8-13-9(12)4-5-11-6-7-11/h4-8H2,1-3H3

InChIKey

CJRVGTHPLJTBNE-UHFFFAOYSA-N

Compound name

2,2-dimethylpropyl 3-(aziridin-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 185.14159 Da
Monoisotopic Mass: 1.6
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]+	186.14887	145.0
[M+Na]+	208.13081	155.7
[M+NH4]+	203.17541	152.3
[M+K]+	224.10475	152.6
[M-H]-	184.13431	150.9
[M+Na-2H]-	206.11626	151.0
[M]+	185.14104	149.1
[M]-	185.14214	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe