CID 3076659

131964-85-7

Structural Information

Molecular Formula
C10H16ClNO2S
SMILES
CN(C)CCOCC(C1=CC=C(S1)Cl)O
InChI
InChI=1S/C10H16ClNO2S/c1-12(2)5-6-14-7-8(13)9-3-4-10(11)15-9/h3-4,8,13H,5-7H2,1-2H3
InChIKey
PVDXBHLBZLQJNK-UHFFFAOYSA-N
Compound name
1-(5-chlorothiophen-2-yl)-2-[2-(dimethylamino)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.05902 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06630 155.6
[M+Na]+ 272.04824 162.7
[M-H]- 248.05174 159.4
[M+NH4]+ 267.09284 175.8
[M+K]+ 288.02218 159.7
[M+H-H2O]+ 232.05628 150.5
[M+HCOO]- 294.05722 170.0
[M+CH3COO]- 308.07287 193.6
[M+Na-2H]- 270.03369 154.7
[M]+ 249.05847 161.9
[M]- 249.05957 161.9
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.