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 169.6
[M+Na]+ 319.13769 175.7
[M-H]- 295.14119 170.3
[M+NH4]+ 314.18229 182.2
[M+K]+ 335.11163 174.6
[M+H-H2O]+ 279.14573 161.4
[M+HCOO]- 341.14667 183.8
[M+CH3COO]- 355.16232 197.5
[M+Na-2H]- 317.12314 168.1
[M]+ 296.14792 170.3
[M]- 296.14902 170.3
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.