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]+ 196.108046 150.9
[M+Na]+ 218.089988 162.0
[M-H]- 194.093494 154.9
[M+NH4]+ 213.134593 163.6
[M+K]+ 234.063928 158.5
[M+H-H2O]+ 178.098030 142.6
[M+HCOO]- 240.098971 172.2
[M+CH3COO]- 254.114621 186.9
[M+Na-2H]- 216.075436 153.5
[M]+ 195.10022142 156.0
[M]- 195.10131858 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.