CID 115020197

5-(1-methylpyrrolidin-2-yl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CN1CCCC1C2=CC(=NN2)C(=O)O
InChI
InChI=1S/C9H13N3O2/c1-12-4-2-3-8(12)6-5-7(9(13)14)11-10-6/h5,8H,2-4H2,1H3,(H,10,11)(H,13,14)
InChIKey
KSIKYMAGHBUMAV-UHFFFAOYSA-N
Compound name
5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 143.6
[M+Na]+ 218.08999 150.8
[M-H]- 194.09349 144.0
[M+NH4]+ 213.13459 160.9
[M+K]+ 234.06393 148.2
[M+H-H2O]+ 178.09803 135.9
[M+HCOO]- 240.09897 160.9
[M+CH3COO]- 254.11462 177.5
[M+Na-2H]- 216.07544 143.4
[M]+ 195.10022 139.7
[M]- 195.10132 139.7
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

No patent data available for this compound.