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
3
Annotation Hits

0
References

28
Patents

298.21442 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.22170 178.2
[M+Na]+ 321.20364 180.3
[M-H]- 297.20714 173.7
[M+NH4]+ 316.24824 191.8
[M+K]+ 337.17758 176.5
[M+H-H2O]+ 281.21168 171.8
[M+HCOO]- 343.21262 194.9
[M+CH3COO]- 357.22827 201.3
[M+Na-2H]- 319.18909 176.0
[M]+ 298.21387 182.1
[M]- 298.21497 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