CID 9588008

Pyrazole-4-carboxylic acid, 5-((1-methyl-2-pyrrolidinylidene)amino)-, 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]+ 237.134596 154.0
[M+Na]+ 259.116538 160.7
[M-H]- 235.120044 157.0
[M+NH4]+ 254.161143 170.8
[M+K]+ 275.090478 158.8
[M+H-H2O]+ 219.124580 145.2
[M+HCOO]- 281.125521 175.0
[M+CH3COO]- 295.141171 191.2
[M+Na-2H]- 257.101986 154.4
[M]+ 236.12677142 153.0
[M]- 236.12786858 153.0
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.