CID 10458

Tridecanedioic acid

Structural Information

Molecular Formula
C13H24O4
SMILES
C(CCCCCC(=O)O)CCCCCC(=O)O
InChI
InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
InChIKey
DXNCZXXFRKPEPY-UHFFFAOYSA-N
Compound name
tridecanedioic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

23700
Patents

244.16747 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.174746 161.6
[M+Na]+ 267.156688 165.1
[M-H]- 243.160194 157.8
[M+NH4]+ 262.201293 177.4
[M+K]+ 283.130628 162.8
[M+H-H2O]+ 227.164730 155.9
[M+HCOO]- 289.165671 179.4
[M+CH3COO]- 303.181321 190.8
[M+Na-2H]- 265.142136 161.4
[M]+ 244.16692142 164.8
[M]- 244.16801858 164.8
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

patents stripe