CID 9554631

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

Structural Information

Molecular Formula
C9H14N4O2
SMILES
CCOC(=O)C1=C(NN=C1)/N=C/N(C)C
InChI
InChI=1S/C9H14N4O2/c1-4-15-9(14)7-5-11-12-8(7)10-6-13(2)3/h5-6H,4H2,1-3H3,(H,11,12)/b10-6+
InChIKey
WVNSRINAOQRPRC-UXBLZVDNSA-N
Compound name
ethyl 5-[(E)-dimethylaminomethylideneamino]-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11168 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.118956 146.6
[M+Na]+ 233.100898 153.5
[M-H]- 209.104404 149.2
[M+NH4]+ 228.145503 164.6
[M+K]+ 249.074838 153.3
[M+H-H2O]+ 193.108940 138.3
[M+HCOO]- 255.109881 171.7
[M+CH3COO]- 269.125531 193.0
[M+Na-2H]- 231.086346 150.6
[M]+ 210.11113142 149.0
[M]- 210.11222858 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.