CID 63356106

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

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CCOC(=O)C1=NN=C(N1C2CC2)C
InChI
InChI=1S/C9H13N3O2/c1-3-14-9(13)8-11-10-6(2)12(8)7-4-5-7/h7H,3-5H2,1-2H3
InChIKey
QAXNRCQXKDPJMN-UHFFFAOYSA-N
Compound name
ethyl 4-cyclopropyl-5-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

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 145.9
[M+Na]+ 218.08999 158.3
[M+NH4]+ 213.13459 152.9
[M+K]+ 234.06393 156.6
[M-H]- 194.09349 152.8
[M+Na-2H]- 216.07544 153.0
[M]+ 195.10022 150.4
[M]- 195.10132 150.4
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.