CID 6437450

Einecs 269-717-6

Structural Information

Molecular Formula
C15H26O2
SMILES
CCC(C)COC(=O)/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C15H26O2/c1-6-13(4)11-17-15(16)10-14(5)9-7-8-12(2)3/h8,10,13H,6-7,9,11H2,1-5H3/b14-10+
InChIKey
DGOYPHRUQAIQOC-GXDHUFHOSA-N
Compound name
2-methylbutyl (2E)-3,7-dimethylocta-2,6-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 162.7
[M+Na]+ 261.18250 166.5
[M-H]- 237.18600 161.9
[M+NH4]+ 256.22710 180.5
[M+K]+ 277.15644 165.0
[M+H-H2O]+ 221.19054 157.2
[M+HCOO]- 283.19148 180.8
[M+CH3COO]- 297.20713 196.9
[M+Na-2H]- 259.16795 160.1
[M]+ 238.19273 165.4
[M]- 238.19383 165.4
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