CID 61743

9-decenoic acid

Structural Information

Molecular Formula
C10H18O2
SMILES
C=CCCCCCCCC(=O)O
InChI
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2,(H,11,12)
InChIKey
KHAVLLBUVKBTBG-UHFFFAOYSA-N
Compound name
dec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

50994
Patents

170.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 141.4
[M+Na]+ 193.119898 146.9
[M-H]- 169.123404 139.6
[M+NH4]+ 188.164503 161.1
[M+K]+ 209.093838 144.9
[M+H-H2O]+ 153.127940 136.5
[M+HCOO]- 215.128881 162.2
[M+CH3COO]- 229.144531 179.6
[M+Na-2H]- 191.105346 144.6
[M]+ 170.13013142 143.1
[M]- 170.13122858 143.1
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