CID 177747096

(5s)-6-[(tert-butoxy)carbonyl]-1,2,6-triazaspiro[2.5]oct-1-ene-5-carboxylic acid

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CC(C)(C)OC(=O)N1CCC2(C[C@H]1C(=O)O)N=N2
InChI
InChI=1S/C11H17N3O4/c1-10(2,3)18-9(17)14-5-4-11(12-13-11)6-7(14)8(15)16/h7H,4-6H2,1-3H3,(H,15,16)/t7-/m0/s1
InChIKey
WANWMTZZJILKAZ-ZETCQYMHSA-N
Compound name
(5S)-6-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,6-triazaspiro[2.5]oct-1-ene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1219 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.129176 169.1
[M+Na]+ 278.111118 177.9
[M-H]- 254.114624 170.3
[M+NH4]+ 273.155723 179.1
[M+K]+ 294.085058 175.5
[M+H-H2O]+ 238.119160 162.6
[M+HCOO]- 300.120101 182.5
[M+CH3COO]- 314.135751 192.9
[M+Na-2H]- 276.096566 173.0
[M]+ 255.12135142 171.6
[M]- 255.12244858 171.6
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.