CID 22973784

Tert-butyl 2-(hydroxymethyl)aziridine-1-carboxylate

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

CC(C)(C)OC(=O)N1CC1CO

InChI

InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9-4-6(9)5-10/h6,10H,4-5H2,1-3H3

InChIKey

CFIQLGGGUSYWKT-UHFFFAOYSA-N

Compound name

tert-butyl 2-(hydroxymethyl)aziridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.1052 Da
Monoisotopic Mass: 0.3
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]+	174.112476	141.7
[M+Na]+	196.094418	151.2
[M-H]-	172.097924	144.0
[M+NH4]+	191.139023	155.9
[M+K]+	212.068358	149.1
[M+H-H2O]+	156.102460	136.1
[M+HCOO]-	218.103401	160.9
[M+CH3COO]-	232.119051	180.4
[M+Na-2H]-	194.079866	146.3
[M]+	173.10465142	146.2
[M]-	173.10574858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe