CID 9588007

Pyrazole-4-carboxylic acid, 5-(n,n,1-trimethylformimidoyl)-, ethyl ester

Structural Information

Molecular Formula
C10H16N4O2
SMILES
CCOC(=O)C1=C(NN=C1)/N=C(/C)\N(C)C
InChI
InChI=1S/C10H16N4O2/c1-5-16-10(15)8-6-11-13-9(8)12-7(2)14(3)4/h6H,5H2,1-4H3,(H,11,13)/b12-7-
InChIKey
QCUOTQJRILHFJU-GHXNOFRVSA-N
Compound name
ethyl 5-[(Z)-1-(dimethylamino)ethylideneamino]-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12732 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.134596 151.9
[M+Na]+ 247.116538 158.2
[M-H]- 223.120044 154.5
[M+NH4]+ 242.161143 169.4
[M+K]+ 263.090478 158.3
[M+H-H2O]+ 207.124580 143.6
[M+HCOO]- 269.125521 175.7
[M+CH3COO]- 283.141171 196.2
[M+Na-2H]- 245.101986 154.2
[M]+ 224.12677142 154.0
[M]- 224.12786858 154.0
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.