CID 95735442

2792161-65-8

Structural Information

Molecular Formula
C11H18N4O4
SMILES
C[C@@H](CN1C=C(N=N1)C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H18N4O4/c1-7(12-10(18)19-11(2,3)4)5-15-6-8(9(16)17)13-14-15/h6-7H,5H2,1-4H3,(H,12,18)(H,16,17)/t7-/m0/s1
InChIKey
COVGRXRQBWTEDL-ZETCQYMHSA-N
Compound name
1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1328 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14008 162.2
[M+Na]+ 293.12202 168.3
[M-H]- 269.12552 161.0
[M+NH4]+ 288.16662 175.4
[M+K]+ 309.09596 168.0
[M+H-H2O]+ 253.13006 154.6
[M+HCOO]- 315.13100 179.3
[M+CH3COO]- 329.14665 196.6
[M+Na-2H]- 291.10747 164.0
[M]+ 270.13225 164.5
[M]- 270.13335 164.5
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.