CID 9588007

Brn 5025707

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]+ 225.13460 151.9
[M+Na]+ 247.11654 158.2
[M-H]- 223.12004 154.5
[M+NH4]+ 242.16114 169.4
[M+K]+ 263.09048 158.3
[M+H-H2O]+ 207.12458 143.6
[M+HCOO]- 269.12552 175.7
[M+CH3COO]- 283.14117 196.2
[M+Na-2H]- 245.10199 154.2
[M]+ 224.12677 154.0
[M]- 224.12787 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.