CID 54178390

207405-59-2

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CC2CC1C(C2)O

InChI

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

InChIKey

PABFVGKPNHVSCG-UHFFFAOYSA-N

Compound name

tert-butyl 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 213.13649 Da
Monoisotopic Mass: 1.1
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	148.5
[M+Na]+	236.12571	155.0
[M+NH4]+	231.17031	155.5
[M+K]+	252.09965	155.6
[M-H]-	212.12921	145.8
[M+Na-2H]-	234.11116	147.4
[M]+	213.13594	148.2
[M]-	213.13704	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe