CID 3039771

Brn 0115378

Structural Information

Molecular Formula

C₁₂H₂₃NO₂

SMILES

CCCC1N2C(OCC2(CO1)C)CCC

InChI

InChI=1S/C12H23NO2/c1-4-6-10-13-11(7-5-2)15-9-12(13,3)8-14-10/h10-11H,4-9H2,1-3H3

InChIKey

FHOPIXLDDOCWIU-UHFFFAOYSA-N

Compound name

7a-methyl-3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 213.17288 Da
Monoisotopic Mass: 2.6
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]+	214.18016	150.4
[M+Na]+	236.16210	157.5
[M-H]-	212.16560	154.1
[M+NH4]+	231.20670	172.1
[M+K]+	252.13604	157.9
[M+H-H2O]+	196.17014	146.0
[M+HCOO]-	258.17108	168.1
[M+CH3COO]-	272.18673	187.8
[M+Na-2H]-	234.14755	153.6
[M]+	213.17233	152.9
[M]-	213.17343	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe