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]+ 156.04776 130.9
[M+Na]+ 178.02970 139.0
[M-H]- 154.03320 134.9
[M+NH4]+ 173.07430 154.0
[M+K]+ 194.00364 136.7
[M+H-H2O]+ 138.03774 125.3
[M+HCOO]- 200.03868 152.9
[M+CH3COO]- 214.05433 174.5
[M+Na-2H]- 176.01515 134.7
[M]+ 155.03993 132.9
[M]- 155.04103 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.