CID 137964306

2225136-48-9

Structural Information

Molecular Formula
C9H14N4O3
SMILES
COC(=O)C1=CN(N=N1)CC2CNCCO2
InChI
InChI=1S/C9H14N4O3/c1-15-9(14)8-6-13(12-11-8)5-7-4-10-2-3-16-7/h6-7,10H,2-5H2,1H3
InChIKey
VUJXSNIKPYGZMK-UHFFFAOYSA-N
Compound name
methyl 1-(morpholin-2-ylmethyl)triazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.1066 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11388 150.4
[M+Na]+ 249.09582 156.4
[M-H]- 225.09932 150.4
[M+NH4]+ 244.14042 162.2
[M+K]+ 265.06976 155.5
[M+H-H2O]+ 209.10386 140.8
[M+HCOO]- 271.10480 164.9
[M+CH3COO]- 285.12045 183.4
[M+Na-2H]- 247.08127 153.3
[M]+ 226.10605 148.2
[M]- 226.10715 148.2
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.