CID 9554631

Brn 5020971

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]+ 211.11896 146.6
[M+Na]+ 233.10090 153.5
[M-H]- 209.10440 149.2
[M+NH4]+ 228.14550 164.6
[M+K]+ 249.07484 153.3
[M+H-H2O]+ 193.10894 138.3
[M+HCOO]- 255.10988 171.7
[M+CH3COO]- 269.12553 193.0
[M+Na-2H]- 231.08635 150.6
[M]+ 210.11113 149.0
[M]- 210.11223 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.