CID 22479589

1824143-05-6

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC(C)(C)OC(=O)NC1C2C1CC(=O)C2

InChI

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

InChIKey

YZWIMFNIJSUNNF-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-oxo-6-bicyclo[3.1.0]hexanyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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]+	212.12813	147.9
[M+Na]+	234.11007	157.0
[M+NH4]+	229.15467	155.6
[M+K]+	250.08401	156.4
[M-H]-	210.11357	154.4
[M+Na-2H]-	232.09552	151.9
[M]+	211.12030	151.8
[M]-	211.12140	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe