CID 12736

Dodecanedioic acid

Structural Information

Molecular Formula
C12H22O4
SMILES
C(CCCCCC(=O)O)CCCCC(=O)O
InChI
InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)
InChIKey
TVIDDXQYHWJXFK-UHFFFAOYSA-N
Compound name
dodecanedioic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

83
References

71578
Patents

230.15181 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.15909 156.3
[M+Na]+ 253.14103 163.0
[M+NH4]+ 248.18563 160.8
[M+K]+ 269.11497 158.8
[M-H]- 229.14453 152.5
[M+Na-2H]- 251.12648 155.8
[M]+ 230.15126 155.6
[M]- 230.15236 155.6
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