CID 106392

1,1,12,12-dodecanetetracarboxylic acid

Structural Information

Molecular Formula
C16H26O8
SMILES
C(CCCCCC(C(=O)O)C(=O)O)CCCCC(C(=O)O)C(=O)O
InChI
InChI=1S/C16H26O8/c17-13(18)11(14(19)20)9-7-5-3-1-2-4-6-8-10-12(15(21)22)16(23)24/h11-12H,1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey
UTCXESIWEYTBMM-UHFFFAOYSA-N
Compound name
dodecane-1,1,12,12-tetracarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

346.16278 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17006 181.6
[M+Na]+ 369.15200 182.1
[M-H]- 345.15550 183.1
[M+NH4]+ 364.19660 186.8
[M+K]+ 385.12594 181.1
[M+H-H2O]+ 329.16004 175.4
[M+HCOO]- 391.16098 182.7
[M+CH3COO]- 405.17663 205.8
[M+Na-2H]- 367.13745 174.6
[M]+ 346.16223 180.9
[M]- 346.16333 180.9
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

patents stripe