CID 177794128

Tert-butyl 6-(aminomethyl)-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₃

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CC(C2)(CN)O

InChI

InChI=1S/C12H22N2O3/c1-10(2,3)17-9(15)14-7-11(8-14)4-12(16,5-11)6-13/h16H,4-8,13H2,1-3H3

InChIKey

CIPMFLPGKFCNDR-UHFFFAOYSA-N

Compound name

tert-butyl 6-(aminomethyl)-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.16304 Da
Monoisotopic Mass: -0.3
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]+	243.170316	161.1
[M+Na]+	265.152258	163.8
[M-H]-	241.155764	163.3
[M+NH4]+	260.196863	167.0
[M+K]+	281.126198	168.4
[M+H-H2O]+	225.160300	148.1
[M+HCOO]-	287.161241	174.1
[M+CH3COO]-	301.176891	202.1
[M+Na-2H]-	263.137706	163.9
[M]+	242.16249142	175.7
[M]-	242.16358858	175.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.