CID 436152

2-amino-1-(thiophen-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H9NOS
SMILES
C1=CSC(=C1)C(CN)O
InChI
InChI=1S/C6H9NOS/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4,7H2
InChIKey
LOULKRKJFMPTJQ-UHFFFAOYSA-N
Compound name
2-amino-1-thiophen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

143.04048 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.047756 128.4
[M+Na]+ 166.029698 135.7
[M-H]- 142.033204 130.6
[M+NH4]+ 161.074303 150.9
[M+K]+ 182.003638 133.4
[M+H-H2O]+ 126.037740 123.2
[M+HCOO]- 188.038681 147.3
[M+CH3COO]- 202.054331 170.6
[M+Na-2H]- 164.015146 130.1
[M]+ 143.03993142 127.3
[M]- 143.04102858 127.3
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