CID 97777002

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-/m1/s1
InChIKey
COJUSTWUQICURS-NXEZZACHSA-N
Compound name
tert-butyl (4aR,8aR)-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

11
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 158.8
[M+Na]+ 265.15226 162.3
[M-H]- 241.15576 158.2
[M+NH4]+ 260.19686 172.4
[M+K]+ 281.12620 161.7
[M+H-H2O]+ 225.16030 151.5
[M+HCOO]- 287.16124 168.1
[M+CH3COO]- 301.17689 188.3
[M+Na-2H]- 263.13771 162.8
[M]+ 242.16249 153.8
[M]- 242.16359 153.8
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