CID 25248097

1-(1-methyl-1h-pyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C9H11N3O3
SMILES
CN1C=C(C=N1)N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C9H11N3O3/c1-11-5-7(3-10-11)12-4-6(9(14)15)2-8(12)13/h3,5-6H,2,4H2,1H3,(H,14,15)
InChIKey
HZKYILQRNRLEFR-UHFFFAOYSA-N
Compound name
1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08005 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 144.2
[M+Na]+ 232.06927 152.9
[M-H]- 208.07277 146.5
[M+NH4]+ 227.11387 161.8
[M+K]+ 248.04321 151.1
[M+H-H2O]+ 192.07731 136.7
[M+HCOO]- 254.07825 163.4
[M+CH3COO]- 268.09390 182.5
[M+Na-2H]- 230.05472 143.9
[M]+ 209.07950 143.3
[M]- 209.08060 143.3
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.