CID 52733

N-thenylidene-2-aminoethanol

Structural Information

Molecular Formula
C7H9NOS
SMILES
C1=CSC(=C1)C=NCCO
InChI
InChI=1S/C7H9NOS/c9-4-3-8-6-7-2-1-5-10-7/h1-2,5-6,9H,3-4H2
InChIKey
AOGCQBKKYRCRQY-UHFFFAOYSA-N
Compound name
2-(thiophen-2-ylmethylideneamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.04048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.047756 130.9
[M+Na]+ 178.029698 139.0
[M-H]- 154.033204 134.9
[M+NH4]+ 173.074303 154.0
[M+K]+ 194.003638 136.7
[M+H-H2O]+ 138.037740 125.3
[M+HCOO]- 200.038681 152.9
[M+CH3COO]- 214.054331 174.5
[M+Na-2H]- 176.015146 134.7
[M]+ 155.03993142 132.9
[M]- 155.04102858 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.