CID 3056696

1-(2-hydroxyethoxy)-3-(2-mercaptoethylamino)-2-propanol hydrochloride

Structural Information

Molecular Formula
C7H17NO3S
SMILES
C(CS)NCC(COCCO)O
InChI
InChI=1S/C7H17NO3S/c9-2-3-11-6-7(10)5-8-1-4-12/h7-10,12H,1-6H2
InChIKey
OQSNRRSZBQIQES-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxy)-3-(2-sulfanylethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.09291 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10019 143.2
[M+Na]+ 218.08213 147.5
[M-H]- 194.08563 140.1
[M+NH4]+ 213.12673 161.2
[M+K]+ 234.05607 145.7
[M+H-H2O]+ 178.09017 137.5
[M+HCOO]- 240.09111 158.7
[M+CH3COO]- 254.10676 180.5
[M+Na-2H]- 216.06758 144.5
[M]+ 195.09236 145.8
[M]- 195.09346 145.8
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.