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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	176.073976	131.1
[M+Na]+	198.055918	140.3
[M-H]-	174.059424	138.7
[M+NH4]+	193.100523	150.2
[M+K]+	214.029858	138.0
[M+H-H2O]+	158.063960	126.5
[M+HCOO]-	220.064901	150.4
[M+CH3COO]-	234.080551	179.9
[M+Na-2H]-	196.041366	134.8
[M]+	175.06615142	133.3
[M]-	175.06724858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.