CID 4962275

915402-17-4

Structural Information

Molecular Formula
C7H13NO2S
SMILES
C1CC1NC2CCS(=O)(=O)C2
InChI
InChI=1S/C7H13NO2S/c9-11(10)4-3-7(5-11)8-6-1-2-6/h6-8H,1-5H2
InChIKey
YPQGVNVOARBNNY-UHFFFAOYSA-N
Compound name
N-cyclopropyl-1,1-dioxothiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0667 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07398 131.1
[M+Na]+ 198.05592 140.3
[M-H]- 174.05942 138.7
[M+NH4]+ 193.10052 150.2
[M+K]+ 214.02986 138.0
[M+H-H2O]+ 158.06396 126.5
[M+HCOO]- 220.06490 150.4
[M+CH3COO]- 234.08055 179.9
[M+Na-2H]- 196.04137 134.8
[M]+ 175.06615 133.3
[M]- 175.06725 133.3
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.