CID 146155472

1640998-93-1

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CC2CC(C2)(C1)C=O

InChI

InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-6-9-4-12(5-9,7-13)8-14/h8-9H,4-7H2,1-3H3

InChIKey

SQQGAVDECKFJMV-UHFFFAOYSA-N

Compound name

tert-butyl 1-formyl-3-azabicyclo[3.1.1]heptane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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	165.5
[M+Na]+	248.125708	169.8
[M-H]-	224.129214	162.9
[M+NH4]+	243.170313	182.1
[M+K]+	264.099648	171.9
[M+H-H2O]+	208.133750	156.8
[M+HCOO]-	270.134691	175.0
[M+CH3COO]-	284.150341	195.4
[M+Na-2H]-	246.111156	174.1
[M]+	225.13594142	178.4
[M]-	225.13703858	178.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe