CID 47003228

1240527-75-6

Structural Information

Molecular Formula
C14H22N4O4
SMILES
CC1=C(N=NN1C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C14H22N4O4/c1-9-11(12(19)20)15-16-18(9)10-5-7-17(8-6-10)13(21)22-14(2,3)4/h10H,5-8H2,1-4H3,(H,19,20)
InChIKey
ZJLZPWSCQSEPDE-UHFFFAOYSA-N
Compound name
5-methyl-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

20
Patents

310.1641 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17138 172.1
[M+Na]+ 333.15332 179.9
[M+NH4]+ 328.19792 175.2
[M+K]+ 349.12726 180.3
[M-H]- 309.15682 169.4
[M+Na-2H]- 331.13877 173.5
[M]+ 310.16355 171.9
[M]- 310.16465 171.9
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