CID 71370940

65109-69-5

Structural Information

Molecular Formula
C9H19NO2S
SMILES
CCCN(CC(C)O)C(=O)SCC
InChI
InChI=1S/C9H19NO2S/c1-4-6-10(7-8(3)11)9(12)13-5-2/h8,11H,4-7H2,1-3H3
InChIKey
XNFHBDFEWMILFR-UHFFFAOYSA-N
Compound name
S-ethyl N-(2-hydroxypropyl)-N-propylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11365 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.120926 149.2
[M+Na]+ 228.102868 153.7
[M-H]- 204.106374 149.1
[M+NH4]+ 223.147473 168.4
[M+K]+ 244.076808 153.2
[M+H-H2O]+ 188.110910 143.3
[M+HCOO]- 250.111851 165.0
[M+CH3COO]- 264.127501 189.1
[M+Na-2H]- 226.088316 148.0
[M]+ 205.11310142 152.9
[M]- 205.11419858 152.9
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.