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]+ 216.08013 144.5
[M+Na]+ 238.06207 151.7
[M-H]- 214.06557 147.6
[M+NH4]+ 233.10667 163.2
[M+K]+ 254.03601 150.9
[M+H-H2O]+ 198.07011 138.3
[M+HCOO]- 260.07105 157.4
[M+CH3COO]- 274.08670 183.2
[M+Na-2H]- 236.04752 146.6
[M]+ 215.07230 141.9
[M]- 215.07340 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.