CID 44256497

3s,7,11-trimethyl-6,10-dodecadienoic acid

Structural Information

Molecular Formula
C15H26O2
SMILES
C[C@@H](CC/C=C(\C)/CCC=C(C)C)CC(=O)O
InChI
InChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,14H,5-6,8,10-11H2,1-4H3,(H,16,17)/b13-9+/t14-/m0/s1
InChIKey
HDAQPCUHLCPEHS-SSUFTNFISA-N
Compound name
(3S,6E)-3,7,11-trimethyldodeca-6,10-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

238.19328 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 163.4
[M+Na]+ 261.18250 166.7
[M-H]- 237.18600 161.2
[M+NH4]+ 256.22710 180.4
[M+K]+ 277.15644 164.2
[M+H-H2O]+ 221.19054 158.1
[M+HCOO]- 283.19148 179.9
[M+CH3COO]- 297.20713 195.0
[M+Na-2H]- 259.16795 160.3
[M]+ 238.19273 164.3
[M]- 238.19383 164.3
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