CID 112756686

1630906-78-3

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCN2CCOCC2C1

InChI

InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-5-4-13-6-7-16-9-10(13)8-14/h10H,4-9H2,1-3H3

InChIKey

NIKUVZOPRNLZMI-UHFFFAOYSA-N

Compound name

tert-butyl 3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 242.16304 Da
Monoisotopic Mass: 0.6
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]+	243.170316	158.1
[M+Na]+	265.152258	162.0
[M-H]-	241.155764	158.9
[M+NH4]+	260.196863	172.4
[M+K]+	281.126198	162.3
[M+H-H2O]+	225.160300	150.6
[M+HCOO]-	287.161241	169.0
[M+CH3COO]-	301.176891	190.8
[M+Na-2H]-	263.137706	162.6
[M]+	242.16249142	155.0
[M]-	242.16358858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe