CID 487250

Schembl992054

Structural Information

Molecular Formula

C₇H₁₄N₂O₃

SMILES

C(CCC(=O)NN)CCC(=O)O

InChI

InChI=1S/C7H14N2O3/c8-9-6(10)4-2-1-3-5-7(11)12/h1-5,8H2,(H,9,10)(H,11,12)

InChIKey

OQQDBECBBRNRKQ-UHFFFAOYSA-N

Compound name

7-hydrazinyl-7-oxoheptanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 174.10045 Da
Monoisotopic Mass: -3.1
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]+	175.10773	139.1
[M+Na]+	197.08967	143.8
[M-H]-	173.09317	137.2
[M+NH4]+	192.13427	157.5
[M+K]+	213.06361	143.1
[M+H-H2O]+	157.09771	133.3
[M+HCOO]-	219.09865	161.5
[M+CH3COO]-	233.11430	182.1
[M+Na-2H]-	195.07512	141.8
[M]+	174.09990	137.6
[M]-	174.10100	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe