CID 79311474

1529035-77-5

Structural Information

Molecular Formula
C11H16N4O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2C=C(N=N2)C(=O)O
InChI
InChI=1S/C11H16N4O4/c1-11(2,3)19-10(18)14-4-7(5-14)15-6-8(9(16)17)12-13-15/h6-7H,4-5H2,1-3H3,(H,16,17)
InChIKey
BNDXKXWDWFSUSI-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.11716 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12444 162.3
[M+Na]+ 291.10638 165.9
[M+NH4]+ 286.15098 161.5
[M+K]+ 307.08032 168.4
[M-H]- 267.10988 156.3
[M+Na-2H]- 289.09183 161.5
[M]+ 268.11661 159.4
[M]- 268.11771 159.4
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

No patent data available for this compound.