CID 9543653

(2e,4e,8e,10e)-dodecatetraenedioic acid

Structural Information

Molecular Formula
C12H14O4
SMILES
C(/C=C/C=C/C(=O)O)C/C=C/C=C/C(=O)O
InChI
InChI=1S/C12H14O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h3-10H,1-2H2,(H,13,14)(H,15,16)/b5-3+,6-4+,9-7+,10-8+
InChIKey
SXPCMUCUZSVRMB-MIIZMDLZSA-N
Compound name
(2E,4E,8E,10E)-dodeca-2,4,8,10-tetraenedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.0892 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 151.4
[M+Na]+ 245.07842 156.8
[M-H]- 221.08192 148.1
[M+NH4]+ 240.12302 168.1
[M+K]+ 261.05236 152.4
[M+H-H2O]+ 205.08646 146.4
[M+HCOO]- 267.08740 170.5
[M+CH3COO]- 281.10305 181.8
[M+Na-2H]- 243.06387 151.9
[M]+ 222.08865 151.1
[M]- 222.08975 151.1
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