CID 2777595

Methyl 3-hydrazinothiophene-2-carboxylate

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

COC(=O)C1=C(C=CS1)NN

InChI

InChI=1S/C6H8N2O2S/c1-10-6(9)5-4(8-7)2-3-11-5/h2-3,8H,7H2,1H3

InChIKey

RWGYQWWIXLVGDJ-UHFFFAOYSA-N

Compound name

methyl 3-hydrazinylthiophene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 172.03065 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	173.03793	133.6
[M+Na]+	195.01987	141.5
[M-H]-	171.02337	137.4
[M+NH4]+	190.06447	155.5
[M+K]+	210.99381	139.8
[M+H-H2O]+	155.02791	127.7
[M+HCOO]-	217.02885	155.4
[M+CH3COO]-	231.04450	179.8
[M+Na-2H]-	193.00532	135.7
[M]+	172.03010	134.6
[M]-	172.03120	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe