CID 155973267

2648938-81-0

Structural Information

Molecular Formula
C8H12N4O2
SMILES
COC(=O)C1=NC=NN1C2CCNC2
InChI
InChI=1S/C8H12N4O2/c1-14-8(13)7-10-5-11-12(7)6-2-3-9-4-6/h5-6,9H,2-4H2,1H3
InChIKey
XGUVWBZPBTUBDX-UHFFFAOYSA-N
Compound name
methyl 2-pyrrolidin-3-yl-1,2,4-triazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

196.09602 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10330 143.2
[M+Na]+ 219.08524 152.1
[M+NH4]+ 214.12984 148.8
[M+K]+ 235.05918 152.3
[M-H]- 195.08874 141.9
[M+Na-2H]- 217.07069 147.0
[M]+ 196.09547 143.6
[M]- 196.09657 143.6
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.