CID 408928

6296-89-5

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C8H10N2O2/c1-12-8(11)6-2-4-7(10-9)5-3-6/h2-5,10H,9H2,1H3

InChIKey

PUVXAQCVNJUHKG-UHFFFAOYSA-N

Compound name

methyl 4-hydrazinylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 325
Patents: 166.07423 Da
Monoisotopic Mass: 1.5
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]+	167.08151	133.9
[M+Na]+	189.06345	144.4
[M+NH4]+	184.10805	141.6
[M+K]+	205.03739	139.5
[M-H]-	165.06695	136.2
[M+Na-2H]-	187.04890	140.2
[M]+	166.07368	135.7
[M]-	166.07478	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe