CID 155973265

2648938-75-2

Structural Information

Molecular Formula
C7H10N4O2
SMILES
COC(=O)C1=NC=NN1C2CNC2
InChI
InChI=1S/C7H10N4O2/c1-13-7(12)6-9-4-10-11(6)5-2-8-3-5/h4-5,8H,2-3H2,1H3
InChIKey
ZYUYVKCNHMRXRF-UHFFFAOYSA-N
Compound name
methyl 2-(azetidin-3-yl)-1,2,4-triazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.08037 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08765 137.9
[M+Na]+ 205.06959 143.5
[M+NH4]+ 200.11419 139.5
[M+K]+ 221.04353 143.8
[M-H]- 181.07309 133.9
[M+Na-2H]- 203.05504 139.8
[M]+ 182.07982 135.9
[M]- 182.08092 135.9
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.