CID 6365755

Dec-1-enylsuccinic acid

Structural Information

Molecular Formula
C14H24O4
SMILES
CCCCCCCC/C=C/C(CC(=O)O)C(=O)O
InChI
InChI=1S/C14H24O4/c1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(15)16/h9-10,12H,2-8,11H2,1H3,(H,15,16)(H,17,18)/b10-9+
InChIKey
HLOQHECIPXZHSX-MDZDMXLPSA-N
Compound name
2-[(E)-dec-1-enyl]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

428
Patents

256.16745 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17473 165.1
[M+Na]+ 279.15667 168.3
[M-H]- 255.16017 161.3
[M+NH4]+ 274.20127 180.4
[M+K]+ 295.13061 165.7
[M+H-H2O]+ 239.16471 159.4
[M+HCOO]- 301.16565 181.8
[M+CH3COO]- 315.18130 193.2
[M+Na-2H]- 277.14212 163.2
[M]+ 256.16690 167.2
[M]- 256.16800 167.2
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