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 155.3
[M+Na]+ 276.09548 162.9
[M-H]- 252.09898 157.3
[M+NH4]+ 271.14008 171.0
[M+K]+ 292.06942 161.3
[M+H-H2O]+ 236.10352 147.4
[M+HCOO]- 298.10446 174.1
[M+CH3COO]- 312.12011 190.6
[M+Na-2H]- 274.08093 154.2
[M]+ 253.10571 156.6
[M]- 253.10681 156.6
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

No patent data available for this compound.