CID 165999094

6-tert-butyl 8-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate hydrochloride

Structural Information

Molecular Formula
C13H22N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C2(C1)CNC2)C(=O)OC
InChI
InChI=1S/C13H22N2O4/c1-12(2,3)19-11(17)15-5-9(10(16)18-4)13(8-15)6-14-7-13/h9,14H,5-8H2,1-4H3
InChIKey
VXBZECSPOSQWCI-UHFFFAOYSA-N
Compound name
6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.15796 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16524 165.0
[M+Na]+ 293.14718 168.6
[M-H]- 269.15068 166.2
[M+NH4]+ 288.19178 175.6
[M+K]+ 309.12112 170.8
[M+H-H2O]+ 253.15522 154.6
[M+HCOO]- 315.15616 177.7
[M+CH3COO]- 329.17181 195.0
[M+Na-2H]- 291.13263 165.5
[M]+ 270.15741 172.7
[M]- 270.15851 172.7
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

No patent data available for this compound.