CID 63381651

Ethyl 5-cyclopropyl-1-methyl-1h-1,2,4-triazole-3-carboxylate

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CCOC(=O)C1=NN(C(=N1)C2CC2)C
InChI
InChI=1S/C9H13N3O2/c1-3-14-9(13)7-10-8(6-4-5-6)12(2)11-7/h6H,3-5H2,1-2H3
InChIKey
RIPPWYMOFBPNOL-UHFFFAOYSA-N
Compound name
ethyl 5-cyclopropyl-1-methyl-1,2,4-triazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 150.9
[M+Na]+ 218.08999 162.0
[M-H]- 194.09349 154.9
[M+NH4]+ 213.13459 163.6
[M+K]+ 234.06393 158.5
[M+H-H2O]+ 178.09803 142.6
[M+HCOO]- 240.09897 172.2
[M+CH3COO]- 254.11462 186.9
[M+Na-2H]- 216.07544 153.5
[M]+ 195.10022 156.0
[M]- 195.10132 156.0
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.