CID 126836652

2094495-60-8

Structural Information

Molecular Formula
C14H22N4O4
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1N2C=C(N=N2)C(=O)O
InChI
InChI=1S/C14H22N4O4/c1-14(2,3)22-13(21)15-9-6-4-5-7-11(9)18-8-10(12(19)20)16-17-18/h8-9,11H,4-7H2,1-3H3,(H,15,21)(H,19,20)/t9-,11+/m1/s1
InChIKey
LYPFZZQDYJCBLX-KOLCDFICSA-N
Compound name
1-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1641 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17138 171.1
[M+Na]+ 333.15332 177.5
[M+NH4]+ 328.19792 174.5
[M+K]+ 349.12726 177.8
[M-H]- 309.15682 169.4
[M+Na-2H]- 331.13877 173.0
[M]+ 310.16355 170.8
[M]- 310.16465 170.8
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

No patent data available for this compound.