CID 9588009

Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester

Structural Information

Molecular Formula
C12H18N4O2
SMILES
CCOC(=O)C1=C(NN=C1)/N=C/2\CCCCN2C
InChI
InChI=1S/C12H18N4O2/c1-3-18-12(17)9-8-13-15-11(9)14-10-6-4-5-7-16(10)2/h8H,3-7H2,1-2H3,(H,13,15)/b14-10+
InChIKey
CLZVFVWMGKRTHS-GXDHUFHOSA-N
Compound name
ethyl 5-[(E)-(1-methylpiperidin-2-ylidene)amino]-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.14297 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.150246 158.7
[M+Na]+ 273.132188 164.2
[M-H]- 249.135694 160.9
[M+NH4]+ 268.176793 173.0
[M+K]+ 289.106128 161.6
[M+H-H2O]+ 233.140230 149.2
[M+HCOO]- 295.141171 177.1
[M+CH3COO]- 309.156821 194.3
[M+Na-2H]- 271.117636 160.1
[M]+ 250.14242142 155.8
[M]- 250.14351858 155.8
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.