CID 16638505

417727-40-3

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CC(C)(C)OC(=O)N1C2CCC1C(=O)NC2
InChI
InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-7-4-5-8(13)9(14)12-6-7/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKey
OXGZIGAYYGRTHO-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

226.13174 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13902 154.3
[M+Na]+ 249.12096 160.6
[M-H]- 225.12446 152.7
[M+NH4]+ 244.16556 172.8
[M+K]+ 265.09490 158.7
[M+H-H2O]+ 209.12900 148.9
[M+HCOO]- 271.12994 167.1
[M+CH3COO]- 285.14559 186.2
[M+Na-2H]- 247.10641 157.0
[M]+ 226.13119 152.2
[M]- 226.13229 152.2
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