CID 854055

101469-92-5

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CC[C@@H](C1)O

InChI

InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h7,11H,4-6H2,1-3H3/t7-/m0/s1

InChIKey

APCBTRDHCDOPNY-ZETCQYMHSA-N

Compound name

tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5461
Patents: 187.12085 Da
Monoisotopic Mass: 0.6
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]+	188.12813	142.6
[M+Na]+	210.11007	150.3
[M+NH4]+	205.15467	148.9
[M+K]+	226.08401	149.2
[M-H]-	186.11357	140.7
[M+Na-2H]-	208.09552	144.4
[M]+	187.12030	142.8
[M]-	187.12140	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe