CID 131964565

2135509-42-9

Structural Information

Molecular Formula
C3H8N2OS
SMILES
C1CC1S(=N)(=O)N
InChI
InChI=1S/C3H8N2OS/c4-7(5,6)3-1-2-3/h3H,1-2H2,(H3,4,5,6)
InChIKey
VPUYZKATZISNBF-UHFFFAOYSA-N
Compound name
(aminosulfonimidoyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

120.035736 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.043012 116.7
[M+Na]+ 143.024954 126.0
[M-H]- 119.028460 121.2
[M+NH4]+ 138.069559 133.8
[M+K]+ 158.998894 122.8
[M+H-H2O]+ 103.032996 111.2
[M+HCOO]- 165.033937 136.7
[M+CH3COO]- 179.049587 173.6
[M+Na-2H]- 141.010402 122.7
[M]+ 120.03518742 117.1
[M]- 120.03628458 117.1
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