CID 66523304

1334491-51-8

Structural Information

Molecular Formula
C12H18N4O4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)N2C=C(N=N2)C(=O)O
InChI
InChI=1S/C12H18N4O4/c1-12(2,3)20-11(19)15-5-4-8(6-15)16-7-9(10(17)18)13-14-16/h7-8H,4-6H2,1-3H3,(H,17,18)
InChIKey
HBYHXFNYEOYAPX-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1328 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14008 163.2
[M+Na]+ 305.12202 170.0
[M+NH4]+ 300.16662 166.4
[M+K]+ 321.09596 172.8
[M-H]- 281.12552 159.9
[M+Na-2H]- 303.10747 164.6
[M]+ 282.13225 162.6
[M]- 282.13335 162.6
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

No patent data available for this compound.