CID 11288708

14:0(5me[r],9me[r],13me)

Structural Information

Molecular Formula
C17H34O2
SMILES
C[C@@H](CCC[C@@H](C)CCCC(=O)O)CCCC(C)C
InChI
InChI=1S/C17H34O2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h14-16H,5-13H2,1-4H3,(H,18,19)/t15-,16-/m1/s1
InChIKey
AMCIEXNSDXERAY-HZPDHXFCSA-N
Compound name
(5R,9R)-5,9,13-trimethyltetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

270.2559 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.263176 176.0
[M+Na]+ 293.245118 177.7
[M-H]- 269.248624 173.1
[M+NH4]+ 288.289723 191.6
[M+K]+ 309.219058 175.8
[M+H-H2O]+ 253.253160 170.0
[M+HCOO]- 315.254101 191.3
[M+CH3COO]- 329.269751 204.0
[M+Na-2H]- 291.230566 171.6
[M]+ 270.25535142 179.1
[M]- 270.25644858 179.1
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