CID 54775397

1269504-36-0

Structural Information

Molecular Formula
C13H20N4O4
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1CN2C=C(N=N2)C(=O)O
InChI
InChI=1S/C13H20N4O4/c1-13(2,3)21-12(20)17-6-4-5-9(17)7-16-8-10(11(18)19)14-15-16/h8-9H,4-7H2,1-3H3,(H,18,19)/t9-/m0/s1
InChIKey
MEIXGBZODIXQNM-VIFPVBQESA-N
Compound name
1-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14847 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15575 167.4
[M+Na]+ 319.13769 174.0
[M+NH4]+ 314.18229 170.5
[M+K]+ 335.11163 176.6
[M-H]- 295.14119 164.1
[M+Na-2H]- 317.12314 168.6
[M]+ 296.14792 166.8
[M]- 296.14902 166.8
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.