CID 46930560

1211586-09-2

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

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

InChI

InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11/h8H,4-7,12H2,1-3H3

InChIKey

WJDUCDSPGKNBBW-UHFFFAOYSA-N

Compound name

tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 382
Patents: 212.15248 Da
Monoisotopic Mass: 0.6
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]+	213.159756	150.0
[M+Na]+	235.141698	153.0
[M-H]-	211.145204	153.4
[M+NH4]+	230.186303	156.0
[M+K]+	251.115638	158.1
[M+H-H2O]+	195.149740	135.6
[M+HCOO]-	257.150681	164.7
[M+CH3COO]-	271.166331	200.0
[M+Na-2H]-	233.127146	152.8
[M]+	212.15193142	164.4
[M]-	212.15302858	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe