CID 54962926

1-[1-(2-methoxyethyl)-1h-pyrazol-4-yl]-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H15N3O4
SMILES
COCCN1C=C(C=N1)N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C11H15N3O4/c1-18-3-2-13-7-9(5-12-13)14-6-8(11(16)17)4-10(14)15/h5,7-8H,2-4,6H2,1H3,(H,16,17)
InChIKey
JMMZQBSVBGRQNI-UHFFFAOYSA-N
Compound name
1-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.10626 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11354 157.5
[M+Na]+ 276.09548 165.7
[M+NH4]+ 271.14008 162.0
[M+K]+ 292.06942 166.4
[M-H]- 252.09898 155.8
[M+Na-2H]- 274.08093 159.4
[M]+ 253.10571 157.5
[M]- 253.10681 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.