CID 12641

Butyl aziridinylformate

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CCCCOC(=O)N1CC1

InChI

InChI=1S/C7H13NO2/c1-2-3-6-10-7(9)8-4-5-8/h2-6H2,1H3

InChIKey

HRCNGTBLBDTIMR-UHFFFAOYSA-N

Compound name

butyl aziridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 143.09464 Da
Monoisotopic Mass: 1.2
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]+	144.101916	135.5
[M+Na]+	166.083858	144.5
[M-H]-	142.087364	138.7
[M+NH4]+	161.128463	151.0
[M+K]+	182.057798	143.0
[M+H-H2O]+	126.091900	128.8
[M+HCOO]-	188.092841	157.8
[M+CH3COO]-	202.108491	177.4
[M+Na-2H]-	164.069306	141.0
[M]+	143.09409142	140.1
[M]-	143.09518858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe