CID 54595964

2-amino-1-(5-chlorothiophen-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H8ClNOS
SMILES
C1=C(SC(=C1)Cl)C(CN)O
InChI
InChI=1S/C6H8ClNOS/c7-6-2-1-5(10-6)4(9)3-8/h1-2,4,9H,3,8H2
InChIKey
UWHBZOSXJAJDEY-UHFFFAOYSA-N
Compound name
2-amino-1-(5-chlorothiophen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

177.00151 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.00879 134.5
[M+Na]+ 199.99073 143.3
[M-H]- 175.99423 136.9
[M+NH4]+ 195.03533 156.7
[M+K]+ 215.96467 139.1
[M+H-H2O]+ 159.99877 130.5
[M+HCOO]- 221.99971 148.8
[M+CH3COO]- 236.01536 175.6
[M+Na-2H]- 197.97618 135.1
[M]+ 177.00096 135.5
[M]- 177.00206 135.5
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