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	149.3
[M+Na]+	236.12571	154.4
[M-H]-	212.12921	150.9
[M+NH4]+	231.17031	162.7
[M+K]+	252.09965	156.3
[M+H-H2O]+	196.13375	139.7
[M+HCOO]-	258.13469	164.4
[M+CH3COO]-	272.15034	187.9
[M+Na-2H]-	234.11116	151.1
[M]+	213.13594	157.8
[M]-	213.13704	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe