CID 25219694

1119452-31-1

Structural Information

Molecular Formula
C13H20N4O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(N=N2)C(=O)O
InChI
InChI=1S/C13H20N4O4/c1-13(2,3)21-12(20)16-6-4-9(5-7-16)17-8-10(11(18)19)14-15-17/h8-9H,4-7H2,1-3H3,(H,18,19)
InChIKey
SFMQXOOIHUKDLZ-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

296.14847 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15575 167.6
[M+Na]+ 319.13769 175.3
[M+NH4]+ 314.18229 170.9
[M+K]+ 335.11163 175.7
[M-H]- 295.14119 164.9
[M+Na-2H]- 317.12314 169.6
[M]+ 296.14792 167.3
[M]- 296.14902 167.3
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

patents stripe