CID 91800891

1630906-30-7

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

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

InChI

InChI=1S/C12H19NO2/c1-9-5-12(6-9)7-13(8-12)10(14)15-11(2,3)4/h1,5-8H2,2-4H3

InChIKey

CBMMXWAEFJBHDO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 209.14159 Da
Monoisotopic Mass: 1.8
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]+	210.148866	145.0
[M+Na]+	232.130808	149.2
[M-H]-	208.134314	149.0
[M+NH4]+	227.175413	151.8
[M+K]+	248.104748	153.6
[M+H-H2O]+	192.138850	131.8
[M+HCOO]-	254.139791	159.6
[M+CH3COO]-	268.155441	198.2
[M+Na-2H]-	230.116256	148.6
[M]+	209.14104142	160.9
[M]-	209.14213858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe