CID 118798188

1638771-06-8

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC(C)(C)OC(=O)NC12CC(C1)(C2)C=O

InChI

InChI=1S/C11H17NO3/c1-9(2,3)15-8(14)12-11-4-10(5-11,6-11)7-13/h7H,4-6H2,1-3H3,(H,12,14)

InChIKey

XIUDXZJLBOFVKS-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-formyl-1-bicyclo[1.1.1]pentanyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 211.12085 Da
Monoisotopic Mass: 0.7
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	171.5
[M+Na]+	234.110068	173.4
[M-H]-	210.113574	174.1
[M+NH4]+	229.154673	176.0
[M+K]+	250.084008	179.9
[M+H-H2O]+	194.118110	158.1
[M+HCOO]-	256.119051	182.8
[M+CH3COO]-	270.134701	214.3
[M+Na-2H]-	232.095516	176.6
[M]+	211.12030142	197.1
[M]-	211.12139858	197.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe