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

33
Patents

296.14847 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.155746 169.8
[M+Na]+ 319.137688 175.3
[M-H]- 295.141194 169.8
[M+NH4]+ 314.182293 180.5
[M+K]+ 335.111628 173.7
[M+H-H2O]+ 279.145730 161.1
[M+HCOO]- 341.146671 181.8
[M+CH3COO]- 355.162321 197.8
[M+Na-2H]- 317.123136 169.9
[M]+ 296.14792142 168.4
[M]- 296.14901858 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