CID 543072

3-amino-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula

C₄H₅N₃O₂

SMILES

C1=C(NN=C1N)C(=O)O

InChI

InChI=1S/C4H5N3O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,8,9)(H3,5,6,7)

InChIKey

ICASMSGEUGPHGI-UHFFFAOYSA-N

Compound name

3-amino-1H-pyrazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 283
Patents: 127.03818 Da
Monoisotopic Mass: -0.3
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]+	128.045456	122.5
[M+Na]+	150.027398	131.1
[M-H]-	126.030904	121.0
[M+NH4]+	145.072003	141.8
[M+K]+	166.001338	129.1
[M+H-H2O]+	110.035440	116.1
[M+HCOO]-	172.036381	143.9
[M+CH3COO]-	186.052031	166.0
[M+Na-2H]-	148.012846	127.3
[M]+	127.03763142	118.6
[M]-	127.03872858	118.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe