CID 25219694

1-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1h-1,2,3-triazole-4-carboxylic acid

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 169.8
[M+Na]+ 319.13769 175.3
[M-H]- 295.14119 169.8
[M+NH4]+ 314.18229 180.5
[M+K]+ 335.11163 173.7
[M+H-H2O]+ 279.14573 161.1
[M+HCOO]- 341.14667 181.8
[M+CH3COO]- 355.16232 197.8
[M+Na-2H]- 317.12314 169.9
[M]+ 296.14792 168.4
[M]- 296.14902 168.4
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