CID 44147920

8-heptadecenedioic acid, (8z)-

Structural Information

Molecular Formula
C17H30O4
SMILES
C(CCC/C=C\CCCCCCC(=O)O)CCCC(=O)O
InChI
InChI=1S/C17H30O4/c18-16(19)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(20)21/h1-2H,3-15H2,(H,18,19)(H,20,21)/b2-1-
InChIKey
VDTSYDDUGXHLDV-UPHRSURJSA-N
Compound name
(Z)-heptadec-8-enedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

298.21442 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.221696 178.2
[M+Na]+ 321.203638 180.3
[M-H]- 297.207144 173.7
[M+NH4]+ 316.248243 191.8
[M+K]+ 337.177578 176.5
[M+H-H2O]+ 281.211680 171.8
[M+HCOO]- 343.212621 194.9
[M+CH3COO]- 357.228271 201.3
[M+Na-2H]- 319.189086 176.0
[M]+ 298.21387142 182.1
[M]- 298.21496858 182.1
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