CID 235119

2-(10-undecenyl)malonic acid

Structural Information

Molecular Formula
C14H24O4
SMILES
C=CCCCCCCCCCC(C(=O)O)C(=O)O
InChI
InChI=1S/C14H24O4/c1-2-3-4-5-6-7-8-9-10-11-12(13(15)16)14(17)18/h2,12H,1,3-11H2,(H,15,16)(H,17,18)
InChIKey
BFPYGAODWSTTOP-UHFFFAOYSA-N
Compound name
2-undec-10-enylpropanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

256.16745 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17473 164.9
[M+Na]+ 279.15667 168.0
[M-H]- 255.16017 161.0
[M+NH4]+ 274.20127 180.0
[M+K]+ 295.13061 165.4
[M+H-H2O]+ 239.16471 159.2
[M+HCOO]- 301.16565 181.5
[M+CH3COO]- 315.18130 193.9
[M+Na-2H]- 277.14212 162.9
[M]+ 256.16690 167.1
[M]- 256.16800 167.1
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