CID 56935803

3,5-dimethylpentadecanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.2559 Da
Monoisotopic Mass

7.3
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

literature stripe

Patent stripe

patents stripe