CID 5283028

Traumatic acid

Structural Information

Molecular Formula
C12H20O4
SMILES
C(CCCCC(=O)O)CCC/C=C/C(=O)O
InChI
InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7+
InChIKey
MAZWDMBCPDUFDJ-VQHVLOKHSA-N
Compound name
(E)-dodec-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

3064
Patents

228.13615 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14343 155.7
[M+Na]+ 251.12537 162.5
[M+NH4]+ 246.16997 160.0
[M+K]+ 267.09931 158.2
[M-H]- 227.12887 151.7
[M+Na-2H]- 249.11082 155.1
[M]+ 228.13560 154.9
[M]- 228.13670 154.9
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