CID 54775396

1211504-22-1

Structural Information

Molecular Formula
C10H16N4O4
SMILES
CC(C)(C)OC(=O)NCCN1C=C(N=N1)C(=O)O
InChI
InChI=1S/C10H16N4O4/c1-10(2,3)18-9(17)11-4-5-14-6-7(8(15)16)12-13-14/h6H,4-5H2,1-3H3,(H,11,17)(H,15,16)
InChIKey
MFEDTPDEWOIULO-UHFFFAOYSA-N
Compound name
1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

256.11716 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12444 157.0
[M+Na]+ 279.10638 163.6
[M+NH4]+ 274.15098 159.9
[M+K]+ 295.08032 164.4
[M-H]- 255.10988 152.9
[M+Na-2H]- 277.09183 158.3
[M]+ 256.11661 156.0
[M]- 256.11771 156.0
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

patents stripe