CID 71305260

1251021-54-1

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCCN2
InChI
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-6-4-9-10(8-14)16-7-5-13-9/h9-10,13H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKey
COJUSTWUQICURS-UWVGGRQHSA-N
Compound name
tert-butyl (4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 157.6
[M+Na]+ 265.15226 166.0
[M+NH4]+ 260.19686 163.9
[M+K]+ 281.12620 162.5
[M-H]- 241.15576 157.6
[M+Na-2H]- 263.13771 158.4
[M]+ 242.16249 158.4
[M]- 242.16359 158.4
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