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

306
Patents

127.03818 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.04546 122.5
[M+Na]+ 150.02740 131.1
[M-H]- 126.03090 121.0
[M+NH4]+ 145.07200 141.8
[M+K]+ 166.00134 129.1
[M+H-H2O]+ 110.03544 116.1
[M+HCOO]- 172.03638 143.9
[M+CH3COO]- 186.05203 166.0
[M+Na-2H]- 148.01285 127.3
[M]+ 127.03763 118.6
[M]- 127.03873 118.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe