CID 18649033

508241-14-3

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

C1CN2CCOC[C@H]2CN1

InChI

InChI=1S/C7H14N2O/c1-2-9-3-4-10-6-7(9)5-8-1/h7-8H,1-6H2/t7-/m1/s1

InChIKey

ZWNWCROZSHWHSF-SSDOTTSWSA-N

Compound name

(9aR)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 856
Patents: 142.11061 Da
Monoisotopic Mass: -0.7
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]+	143.11789	130.4
[M+Na]+	165.09983	134.5
[M-H]-	141.10333	129.8
[M+NH4]+	160.14443	147.7
[M+K]+	181.07377	133.7
[M+H-H2O]+	125.10787	123.0
[M+HCOO]-	187.10881	143.4
[M+CH3COO]-	201.12446	141.2
[M+Na-2H]-	163.08528	138.0
[M]+	142.11006	122.3
[M]-	142.11116	122.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe