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 174.2
[M+Na]+ 333.15332 180.1
[M-H]- 309.15682 174.4
[M+NH4]+ 328.19792 184.6
[M+K]+ 349.12726 178.4
[M+H-H2O]+ 293.16136 165.7
[M+HCOO]- 355.16230 185.8
[M+CH3COO]- 369.17795 202.0
[M+Na-2H]- 331.13877 173.1
[M]+ 310.16355 173.6
[M]- 310.16465 173.6
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