CID 67168773

Tert-butyl 6,8-dioxo-2,5,7-triazaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C(=O)NC(=O)N2
InChI
InChI=1S/C10H15N3O4/c1-9(2,3)17-8(16)13-4-10(5-13)6(14)11-7(15)12-10/h4-5H2,1-3H3,(H2,11,12,14,15)
InChIKey
DZIWEJOTBPPHPS-UHFFFAOYSA-N
Compound name
tert-butyl 6,8-dioxo-2,5,7-triazaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

241.10626 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.113536 156.2
[M+Na]+ 264.095478 161.9
[M-H]- 240.098984 155.3
[M+NH4]+ 259.140083 166.0
[M+K]+ 280.069418 162.8
[M+H-H2O]+ 224.103520 145.8
[M+HCOO]- 286.104461 168.2
[M+CH3COO]- 300.120111 187.0
[M+Na-2H]- 262.080926 158.0
[M]+ 241.10571142 161.8
[M]- 241.10680858 161.8
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