CID 2513435

160758-18-9

Structural Information

Molecular Formula
C7H9N3O2S
SMILES
C1CC(=O)N(C1)CC2=NNC(=S)O2
InChI
InChI=1S/C7H9N3O2S/c11-6-2-1-3-10(6)4-5-8-9-7(13)12-5/h1-4H2,(H,9,13)
InChIKey
KEFULOLFGBVEJN-UHFFFAOYSA-N
Compound name
1-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

199.04155 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.048826 140.7
[M+Na]+ 222.030768 151.0
[M-H]- 198.034274 143.8
[M+NH4]+ 217.075373 158.4
[M+K]+ 238.004708 148.9
[M+H-H2O]+ 182.038810 134.4
[M+HCOO]- 244.039751 155.9
[M+CH3COO]- 258.055401 153.6
[M+Na-2H]- 220.016216 140.2
[M]+ 199.04100142 141.1
[M]- 199.04209858 141.1
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

patents stripe