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
2
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]+ 206.12093 149.2
[M+Na]+ 228.10287 153.7
[M-H]- 204.10637 149.1
[M+NH4]+ 223.14747 168.4
[M+K]+ 244.07681 153.2
[M+H-H2O]+ 188.11091 143.3
[M+HCOO]- 250.11185 165.0
[M+CH3COO]- 264.12750 189.1
[M+Na-2H]- 226.08832 148.0
[M]+ 205.11310 152.9
[M]- 205.11420 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.