CID 46912009

Tert-butyl 2,5-diazaspiro[3.4]octane-5-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCCC12CNC2

InChI

InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-6-4-5-11(13)7-12-8-11/h12H,4-8H2,1-3H3

InChIKey

XKASCTCECDLMSI-UHFFFAOYSA-N

Compound name

tert-butyl 2,5-diazaspiro[3.4]octane-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 212.15248 Da
Monoisotopic Mass: 0.8
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	151.4
[M+Na]+	235.141698	155.5
[M-H]-	211.145204	152.6
[M+NH4]+	230.186303	164.4
[M+K]+	251.115638	157.0
[M+H-H2O]+	195.149740	141.0
[M+HCOO]-	257.150681	165.4
[M+CH3COO]-	271.166331	184.6
[M+Na-2H]-	233.127146	154.4
[M]+	212.15193142	156.7
[M]-	212.15302858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe