CID 39872255

1956355-97-7

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)NC1CC2(C1)CNC2

InChI

InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-8-4-11(5-8)6-12-7-11/h8,12H,4-7H2,1-3H3,(H,13,14)

InChIKey

CBYPCXLWNJUVLF-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 139
Patents: 212.15248 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]+	213.159756	150.3
[M+Na]+	235.141698	152.2
[M-H]-	211.145204	152.6
[M+NH4]+	230.186303	155.6
[M+K]+	251.115638	156.8
[M+H-H2O]+	195.149740	135.7
[M+HCOO]-	257.150681	164.2
[M+CH3COO]-	271.166331	197.3
[M+Na-2H]-	233.127146	154.2
[M]+	212.15193142	163.6
[M]-	212.15302858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe