CID 103723

2,4-dodecadienoic acid, 3,7,11-trimethyl-, (2e,4e)-

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(C)CCCC(C)CC=CC(=CC(=O)O)C
InChI
InChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h6,10-13H,5,7-9H2,1-4H3,(H,16,17)
InChIKey
QMVSVDPAWIVPNR-UHFFFAOYSA-N
Compound name
3,7,11-trimethyldodeca-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

141
Patents

238.19328 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 163.4
[M+Na]+ 261.182498 166.7
[M-H]- 237.186004 161.2
[M+NH4]+ 256.227103 180.4
[M+K]+ 277.156438 164.2
[M+H-H2O]+ 221.190540 158.1
[M+HCOO]- 283.191481 179.9
[M+CH3COO]- 297.207131 195.0
[M+Na-2H]- 259.167946 160.3
[M]+ 238.19273142 164.3
[M]- 238.19382858 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