CID 44152873

94113-62-9

Structural Information

Molecular Formula
C9H14N4O4
SMILES
C(CCC(=O)O)CCNC1=NC(=O)NC(=O)N1
InChI
InChI=1S/C9H14N4O4/c14-6(15)4-2-1-3-5-10-7-11-8(16)13-9(17)12-7/h1-5H2,(H,14,15)(H3,10,11,12,13,16,17)
InChIKey
UPPFGNUFAQBGNU-UHFFFAOYSA-N
Compound name
6-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1015 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.108776 152.1
[M+Na]+ 265.090718 159.4
[M-H]- 241.094224 147.8
[M+NH4]+ 260.135323 163.0
[M+K]+ 281.064658 155.0
[M+H-H2O]+ 225.098760 143.9
[M+HCOO]- 287.099701 169.5
[M+CH3COO]- 301.115351 186.6
[M+Na-2H]- 263.076166 156.6
[M]+ 242.10095142 150.8
[M]- 242.10204858 150.8
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.