CID 16794911

2-{[2-(diethylamino)ethyl]sulfanyl}acetic acid hydrochloride

Structural Information

Molecular Formula
C8H17NO2S
SMILES
CCN(CC)CCSCC(=O)O
InChI
InChI=1S/C8H17NO2S/c1-3-9(4-2)5-6-12-7-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKey
RDRAHLHBWBXXLH-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethylsulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

191.098 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10528 144.2
[M+Na]+ 214.08722 151.7
[M+NH4]+ 209.13182 151.3
[M+K]+ 230.06116 145.3
[M-H]- 190.09072 143.4
[M+Na-2H]- 212.07267 145.8
[M]+ 191.09745 145.2
[M]- 191.09855 145.2
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