CID 101198140

467454-50-8

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CC2CC1(C2)C=O

InChI

InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-6-8-4-11(12,5-8)7-13/h7-8H,4-6H2,1-3H3

InChIKey

NTTHGKHKOKQXCD-UHFFFAOYSA-N

Compound name

tert-butyl 1-formyl-2-azabicyclo[2.1.1]hexane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 211.12085 Da
Monoisotopic Mass: 1.0
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]+	212.128126	159.0
[M+Na]+	234.110068	164.9
[M-H]-	210.113574	158.9
[M+NH4]+	229.154673	179.2
[M+K]+	250.084008	166.7
[M+H-H2O]+	194.118110	152.5
[M+HCOO]-	256.119051	173.5
[M+CH3COO]-	270.134701	190.7
[M+Na-2H]-	232.095516	164.7
[M]+	211.12030142	174.0
[M]-	211.12139858	174.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe