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	147.9
[M+Na]+	208.13081	156.1
[M-H]-	184.13431	150.9
[M+NH4]+	203.17541	162.0
[M+K]+	224.10475	154.3
[M+H-H2O]+	168.13885	141.4
[M+HCOO]-	230.13979	167.8
[M+CH3COO]-	244.15544	186.3
[M+Na-2H]-	206.11626	152.6
[M]+	185.14104	153.2
[M]-	185.14214	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe