CID 9878336

10-butoxy-10-oxodecanoic acid

Structural Information

Molecular Formula
C14H26O4
SMILES
CCCCOC(=O)CCCCCCCCC(=O)O
InChI
InChI=1S/C14H26O4/c1-2-3-12-18-14(17)11-9-7-5-4-6-8-10-13(15)16/h2-12H2,1H3,(H,15,16)
InChIKey
KNGHQUFQZLYRKP-UHFFFAOYSA-N
Compound name
10-butoxy-10-oxodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1302
Patents

258.1831 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.190376 165.8
[M+Na]+ 281.172318 169.4
[M-H]- 257.175824 163.4
[M+NH4]+ 276.216923 181.9
[M+K]+ 297.146258 167.8
[M+H-H2O]+ 241.180360 159.8
[M+HCOO]- 303.181301 184.9
[M+CH3COO]- 317.196951 195.7
[M+Na-2H]- 279.157766 165.7
[M]+ 258.18255142 171.3
[M]- 258.18364858 171.3
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