CID 51072296

1256643-36-3

Structural Information

Molecular Formula

C₉H₁₃N₃O₂

SMILES

CCN1C2=C(CNCC2)C(=N1)C(=O)O

InChI

InChI=1S/C9H13N3O2/c1-2-12-7-3-4-10-5-6(7)8(11-12)9(13)14/h10H,2-5H2,1H3,(H,13,14)

InChIKey

NIIHZURZIJHFGA-UHFFFAOYSA-N

Compound name

1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 195.10077 Da
Monoisotopic Mass: -2.4
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]+	196.108046	143.9
[M+Na]+	218.089988	151.5
[M-H]-	194.093494	141.6
[M+NH4]+	213.134593	160.8
[M+K]+	234.063928	148.2
[M+H-H2O]+	178.098030	136.7
[M+HCOO]-	240.098971	158.8
[M+CH3COO]-	254.114621	179.0
[M+Na-2H]-	216.075436	146.9
[M]+	195.10022142	140.6
[M]-	195.10131858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe