CID 2811787

Maybridge4_001352

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CC1=NN(C(=C1)NC(=O)CCCC(=O)O)C
InChI
InChI=1S/C10H15N3O3/c1-7-6-8(13(2)12-7)11-9(14)4-3-5-10(15)16/h6H,3-5H2,1-2H3,(H,11,14)(H,15,16)
InChIKey
DMSAWNVRFFFJRM-UHFFFAOYSA-N
Compound name
5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

225.11134 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.118616 150.6
[M+Na]+ 248.100558 157.9
[M-H]- 224.104064 150.6
[M+NH4]+ 243.145163 167.1
[M+K]+ 264.074498 156.2
[M+H-H2O]+ 208.108600 143.3
[M+HCOO]- 270.109541 171.5
[M+CH3COO]- 284.125191 189.9
[M+Na-2H]- 246.086006 152.1
[M]+ 225.11079142 152.2
[M]- 225.11188858 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.