CID 5282622

4,8-dimethyl-pentadecanoic acid

Structural Information

Molecular Formula
C17H34O2
SMILES
CCCCCCCC(C)CCCC(C)CCC(=O)O
InChI
InChI=1S/C17H34O2/c1-4-5-6-7-8-10-15(2)11-9-12-16(3)13-14-17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)
InChIKey
DNABEQSTCCBXAX-UHFFFAOYSA-N
Compound name
4,8-dimethylpentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

270.2559 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.263176 175.9
[M+Na]+ 293.245118 177.8
[M-H]- 269.248624 173.0
[M+NH4]+ 288.289723 191.6
[M+K]+ 309.219058 175.5
[M+H-H2O]+ 253.253160 169.8
[M+HCOO]- 315.254101 192.3
[M+CH3COO]- 329.269751 203.1
[M+Na-2H]- 291.230566 172.7
[M]+ 270.25535142 179.7
[M]- 270.25644858 179.7
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