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 151.6
[M+Na]+ 247.11654 159.3
[M+NH4]+ 242.16114 156.9
[M+K]+ 263.09048 157.9
[M-H]- 223.12004 151.1
[M+Na-2H]- 245.10199 154.8
[M]+ 224.12677 152.0
[M]- 224.12787 152.0
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.