CID 16410511

122413-85-8

Structural Information

Molecular Formula

C₁₂H₂₂NO₃

SMILES

CC1(CC(CC(N1[O])(C)C)OCC2CO2)C

InChI

InChI=1S/C12H22NO3/c1-11(2)5-9(15-7-10-8-16-10)6-12(3,4)13(11)14/h9-10H,5-8H2,1-4H3

InChIKey

AYJPKWBJZNALTL-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 228.15997 Da
Monoisotopic Mass: 1.1
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]+	229.16725	155.3
[M+Na]+	251.14919	164.5
[M-H]-	227.15269	162.3
[M+NH4]+	246.19379	170.4
[M+K]+	267.12313	165.8
[M+H-H2O]+	211.15723	149.9
[M+HCOO]-	273.15817	172.4
[M+CH3COO]-	287.17382	194.2
[M+Na-2H]-	249.13464	160.4
[M]+	228.15942	160.8
[M]-	228.16052	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe