CID 12427976

Ethyl 2-hydrazinyl-4-methylpyrimidine-5-carboxylate

Structural Information

Molecular Formula
C8H12N4O2
SMILES
CCOC(=O)C1=CN=C(N=C1C)NN
InChI
InChI=1S/C8H12N4O2/c1-3-14-7(13)6-4-10-8(12-9)11-5(6)2/h4H,3,9H2,1-2H3,(H,10,11,12)
InChIKey
VBRMUJGUHAMQNU-UHFFFAOYSA-N
Compound name
ethyl 2-hydrazinyl-4-methylpyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

196.09602 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10330 142.3
[M+Na]+ 219.08524 150.3
[M-H]- 195.08874 143.3
[M+NH4]+ 214.12984 158.4
[M+K]+ 235.05918 148.8
[M+H-H2O]+ 179.09328 134.4
[M+HCOO]- 241.09422 165.7
[M+CH3COO]- 255.10987 188.7
[M+Na-2H]- 217.07069 148.1
[M]+ 196.09547 142.5
[M]- 196.09657 142.5
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

patents stripe