CID 118941213

2201551-76-8

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CC(=O)C12CC(C1)(C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C12H19NO3/c1-8(14)11-5-12(6-11,7-11)13-9(15)16-10(2,3)4/h5-7H2,1-4H3,(H,13,15)

InChIKey

SJFNZDNTKFCWMP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 225.13649 Da
Monoisotopic Mass: 0.9
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]+	226.143766	179.6
[M+Na]+	248.125708	180.7
[M-H]-	224.129214	182.0
[M+NH4]+	243.170313	183.4
[M+K]+	264.099648	187.5
[M+H-H2O]+	208.133750	165.8
[M+HCOO]-	270.134691	189.6
[M+CH3COO]-	284.150341	217.2
[M+Na-2H]-	246.111156	182.8
[M]+	225.13594142	204.7
[M]-	225.13703858	204.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe