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 147.1
[M+Na]+ 233.10090 153.8
[M-H]- 209.10440 147.2
[M+NH4]+ 228.14550 162.8
[M+K]+ 249.07484 152.1
[M+H-H2O]+ 193.10894 137.8
[M+HCOO]- 255.10988 164.5
[M+CH3COO]- 269.12553 181.2
[M+Na-2H]- 231.08635 147.8
[M]+ 210.11113 145.1
[M]- 210.11223 145.1
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.