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

41
Patents

143.04048 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04776 128.4
[M+Na]+ 166.02970 135.7
[M-H]- 142.03320 130.6
[M+NH4]+ 161.07430 150.9
[M+K]+ 182.00364 133.4
[M+H-H2O]+ 126.03774 123.2
[M+HCOO]- 188.03868 147.3
[M+CH3COO]- 202.05433 170.6
[M+Na-2H]- 164.01515 130.1
[M]+ 143.03993 127.3
[M]- 143.04103 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