CID 2756801

141699-55-0

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

CC(C)(C)OC(=O)N1CC(C1)O

InChI

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

InChIKey

XRRXRQJQQKMFBC-UHFFFAOYSA-N

Compound name

tert-butyl 3-hydroxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4072
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	138.7
[M+Na]+	196.094418	144.2
[M-H]-	172.097924	139.6
[M+NH4]+	191.139023	150.9
[M+K]+	212.068358	147.3
[M+H-H2O]+	156.102460	128.4
[M+HCOO]-	218.103401	155.7
[M+CH3COO]-	232.119051	180.1
[M+Na-2H]-	194.079866	142.6
[M]+	173.10465142	147.6
[M]-	173.10574858	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe