CID 155978175

1-{[(tert-butoxy)carbamoyl]methyl}-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C9H14N4O4
SMILES
CC(C)(C)ONC(=O)CN1C=C(N=N1)C(=O)O
InChI
InChI=1S/C9H14N4O4/c1-9(2,3)17-11-7(14)5-13-4-6(8(15)16)10-12-13/h4H,5H2,1-3H3,(H,11,14)(H,15,16)
InChIKey
MZVYJQKIENVIJR-UHFFFAOYSA-N
Compound name
1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]triazole-4-carboxylic 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]+ 243.108776 153.3
[M+Na]+ 265.090718 160.4
[M-H]- 241.094224 152.2
[M+NH4]+ 260.135323 167.5
[M+K]+ 281.064658 159.9
[M+H-H2O]+ 225.098760 145.8
[M+HCOO]- 287.099701 171.9
[M+CH3COO]- 301.115351 190.4
[M+Na-2H]- 263.076166 157.1
[M]+ 242.10095142 155.5
[M]- 242.10204858 155.5
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.