CID 160576

Pentadecanedioic acid

Structural Information

Molecular Formula
C15H28O4
SMILES
C(CCCCCCC(=O)O)CCCCCCC(=O)O
InChI
InChI=1S/C15H28O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h1-13H2,(H,16,17)(H,18,19)
InChIKey
BTZVDPWKGXMQFW-UHFFFAOYSA-N
Compound name
pentadecanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

7291
Patents

272.19876 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.20604 169.3
[M+Na]+ 295.18798 175.4
[M+NH4]+ 290.23258 173.3
[M+K]+ 311.16192 170.5
[M-H]- 271.19148 165.4
[M+Na-2H]- 293.17343 168.0
[M]+ 272.19821 168.5
[M]- 272.19931 168.5
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