CID 12640

Isopropyl aziridinylformate

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC(C)OC(=O)N1CC1

InChI

InChI=1S/C6H11NO2/c1-5(2)9-6(8)7-3-4-7/h5H,3-4H2,1-2H3

InChIKey

QRHKUWPDXPZWDX-UHFFFAOYSA-N

Compound name

propan-2-yl aziridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 129.07898 Da
Monoisotopic Mass: 0.7
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]+	130.086256	130.5
[M+Na]+	152.068198	139.8
[M-H]-	128.071704	134.0
[M+NH4]+	147.112803	146.6
[M+K]+	168.042138	138.9
[M+H-H2O]+	112.076240	124.1
[M+HCOO]-	174.077181	152.3
[M+CH3COO]-	188.092831	175.3
[M+Na-2H]-	150.053646	135.5
[M]+	129.07843142	134.2
[M]-	129.07952858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe