CID 43565333

1909318-81-5

Structural Information

Molecular Formula

C₈H₁₃N₃O₂

SMILES

CN(C)CCN1C=C(C=N1)C(=O)O

InChI

InChI=1S/C8H13N3O2/c1-10(2)3-4-11-6-7(5-9-11)8(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)

InChIKey

GICHVWFADSCFIL-UHFFFAOYSA-N

Compound name

1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 183.10077 Da
Monoisotopic Mass: -2.5
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]+	184.10805	139.9
[M+Na]+	206.08999	148.9
[M+NH4]+	201.13459	146.0
[M+K]+	222.06393	147.1
[M-H]-	182.09349	139.1
[M+Na-2H]-	204.07544	143.7
[M]+	183.10022	140.5
[M]-	183.10132	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe