CID 155978178

2-{4-[(tert-butoxy)carbamoyl]-1h-1,2,3-triazol-1-yl}acetic acid

Structural Information

Molecular Formula
C9H14N4O4
SMILES
CC(C)(C)ONC(=O)C1=CN(N=N1)CC(=O)O
InChI
InChI=1S/C9H14N4O4/c1-9(2,3)17-11-8(16)6-4-13(12-10-6)5-7(14)15/h4H,5H2,1-3H3,(H,11,16)(H,14,15)
InChIKey
RYAAZXWXCBGKIQ-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbamoyl]triazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1015 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10878 152.5
[M+Na]+ 265.09072 159.2
[M+NH4]+ 260.13532 155.5
[M+K]+ 281.06466 160.3
[M-H]- 241.09422 148.5
[M+Na-2H]- 263.07617 154.0
[M]+ 242.10095 151.6
[M]- 242.10205 151.6
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.