CID 12618037

57362-82-0

Structural Information

Molecular Formula
C5H7N3O2
SMILES
CN1C=C(N=N1)C(=O)OC
InChI
InChI=1S/C5H7N3O2/c1-8-3-4(6-7-8)5(9)10-2/h3H,1-2H3
InChIKey
MHGDTEULYQGOEU-UHFFFAOYSA-N
Compound name
methyl 1-methyltriazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

96
Patents

141.05383 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 127.3
[M+Na]+ 164.04305 138.4
[M+NH4]+ 159.08765 133.8
[M+K]+ 180.01699 136.3
[M-H]- 140.04655 125.8
[M+Na-2H]- 162.02850 132.1
[M]+ 141.05328 128.1
[M]- 141.05438 128.1
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