CID 91647499

1795500-98-9

Structural Information

Molecular Formula
C8H13N3O2S
SMILES
CC(=O)N1C2(CCOCC2)SC(=N1)N
InChI
InChI=1S/C8H13N3O2S/c1-6(12)11-8(14-7(9)10-11)2-4-13-5-3-8/h2-5H2,1H3,(H2,9,10)
InChIKey
PSBMEXIERLCKLZ-UHFFFAOYSA-N
Compound name
1-(2-amino-8-oxa-1-thia-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.07285 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.080126 144.5
[M+Na]+ 238.062068 151.7
[M-H]- 214.065574 147.6
[M+NH4]+ 233.106673 163.2
[M+K]+ 254.036008 150.9
[M+H-H2O]+ 198.070110 138.3
[M+HCOO]- 260.071051 157.4
[M+CH3COO]- 274.086701 183.2
[M+Na-2H]- 236.047516 146.6
[M]+ 215.07230142 141.9
[M]- 215.07339858 141.9
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.