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

3
Patents

242.16304 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17032 158.1
[M+Na]+ 265.15226 162.0
[M-H]- 241.15576 158.9
[M+NH4]+ 260.19686 172.4
[M+K]+ 281.12620 162.3
[M+H-H2O]+ 225.16030 150.6
[M+HCOO]- 287.16124 169.0
[M+CH3COO]- 301.17689 190.8
[M+Na-2H]- 263.13771 162.6
[M]+ 242.16249 155.0
[M]- 242.16359 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe