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]+ 254.113536 155.3
[M+Na]+ 276.095478 162.9
[M-H]- 252.098984 157.3
[M+NH4]+ 271.140083 171.0
[M+K]+ 292.069418 161.3
[M+H-H2O]+ 236.103520 147.4
[M+HCOO]- 298.104461 174.1
[M+CH3COO]- 312.120111 190.6
[M+Na-2H]- 274.080926 154.2
[M]+ 253.10571142 156.6
[M]- 253.10680858 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.