CID 9588008

5-((1-methyl-2-pyprolidinylidene)amino)pyrazole-4-carboxylic acid ethyl ester

Structural Information

Molecular Formula
C11H16N4O2
SMILES
CCOC(=O)C1=C(NN=C1)/N=C/2\CCCN2C
InChI
InChI=1S/C11H16N4O2/c1-3-17-11(16)8-7-12-14-10(8)13-9-5-4-6-15(9)2/h7H,3-6H2,1-2H3,(H,12,14)/b13-9+
InChIKey
DGGRNALSMIYHNV-UKTHLTGXSA-N
Compound name
ethyl 5-[(E)-(1-methylpyrrolidin-2-ylidene)amino]-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.12732 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13460 154.8
[M+Na]+ 259.11654 163.0
[M+NH4]+ 254.16114 160.3
[M+K]+ 275.09048 162.4
[M-H]- 235.12004 154.8
[M+Na-2H]- 257.10199 158.2
[M]+ 236.12677 155.3
[M]- 236.12787 155.3
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.