CID 10680810

182137-57-1

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1C2CCC1(CC2)CO

InChI

InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-9-4-6-12(13,8-14)7-5-9/h9,14H,4-8H2,1-3H3

InChIKey

LRNLIMHUUCUPDJ-UHFFFAOYSA-N

Compound name

tert-butyl 1-(hydroxymethyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 227.15215 Da
Monoisotopic Mass: 1.4
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]+	228.159426	156.9
[M+Na]+	250.141368	163.4
[M-H]-	226.144874	157.0
[M+NH4]+	245.185973	180.4
[M+K]+	266.115308	162.0
[M+H-H2O]+	210.149410	153.4
[M+HCOO]-	272.150351	172.6
[M+CH3COO]-	286.166001	185.6
[M+Na-2H]-	248.126816	159.8
[M]+	227.15160142	157.5
[M]-	227.15269858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe