CID 177747096

Ebc-6724075

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]+ 256.12918 169.1
[M+Na]+ 278.11112 177.9
[M-H]- 254.11462 170.3
[M+NH4]+ 273.15572 179.1
[M+K]+ 294.08506 175.5
[M+H-H2O]+ 238.11916 162.6
[M+HCOO]- 300.12010 182.5
[M+CH3COO]- 314.13575 192.9
[M+Na-2H]- 276.09657 173.0
[M]+ 255.12135 171.6
[M]- 255.12245 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.