CID 115026860

2219408-75-8

Structural Information

Molecular Formula
C9H14N4O2
SMILES
COC(=O)C1=CN(N=N1)CC2CCCN2
InChI
InChI=1S/C9H14N4O2/c1-15-9(14)8-6-13(12-11-8)5-7-3-2-4-10-7/h6-7,10H,2-5H2,1H3
InChIKey
FGAHEIJJWKCWLA-UHFFFAOYSA-N
Compound name
methyl 1-(pyrrolidin-2-ylmethyl)triazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11168 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11896 147.6
[M+Na]+ 233.10090 156.2
[M+NH4]+ 228.14550 153.0
[M+K]+ 249.07484 156.2
[M-H]- 209.10440 146.2
[M+Na-2H]- 231.08635 151.0
[M]+ 210.11113 147.8
[M]- 210.11223 147.8
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.