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

14
Patents

120.035736 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04301 116.7
[M+Na]+ 143.02495 126.0
[M-H]- 119.02846 121.2
[M+NH4]+ 138.06956 133.8
[M+K]+ 158.99889 122.8
[M+H-H2O]+ 103.03300 111.2
[M+HCOO]- 165.03394 136.7
[M+CH3COO]- 179.04959 173.6
[M+Na-2H]- 141.01040 122.7
[M]+ 120.03519 117.1
[M]- 120.03628 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