CID 21892932

663172-78-9

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CC2CC(C2C1)O

InChI

InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-5-7-4-9(13)8(7)6-12/h7-9,13H,4-6H2,1-3H3

InChIKey

UCFRPUSUNQPJRS-UHFFFAOYSA-N

Compound name

tert-butyl 6-hydroxy-3-azabicyclo[3.2.0]heptane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 213.13649 Da
Monoisotopic Mass: 0.9
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]+	214.14377	150.5
[M+Na]+	236.12571	153.7
[M+NH4]+	231.17031	153.2
[M+K]+	252.09965	154.1
[M-H]-	212.12921	145.9
[M+Na-2H]-	234.11116	148.3
[M]+	213.13594	148.1
[M]-	213.13704	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe