CID 122230606

5-cyanononanedioic acid

Structural Information

Molecular Formula
C10H15NO4
SMILES
C(CC(CCCC(=O)O)C#N)CC(=O)O
InChI
InChI=1S/C10H15NO4/c11-7-8(3-1-5-9(12)13)4-2-6-10(14)15/h8H,1-6H2,(H,12,13)(H,14,15)
InChIKey
ZRTKIOSJSITCAQ-UHFFFAOYSA-N
Compound name
5-cyanononanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.10011 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.107386 148.0
[M+Na]+ 236.089328 154.4
[M-H]- 212.092834 145.8
[M+NH4]+ 231.133933 163.3
[M+K]+ 252.063268 153.5
[M+H-H2O]+ 196.097370 136.4
[M+HCOO]- 258.098311 163.1
[M+CH3COO]- 272.113961 196.0
[M+Na-2H]- 234.074776 148.5
[M]+ 213.09956142 144.3
[M]- 213.10065858 144.3
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.