CID 101974

Dtxsid201186253

Structural Information

Molecular Formula
C16H26O2
SMILES
CC(=CCCC(=CCC[C@@](C)(C=C)OC=O)C)C
InChI
InChI=1S/C16H26O2/c1-6-16(5,18-13-17)12-8-11-15(4)10-7-9-14(2)3/h6,9,11,13H,1,7-8,10,12H2,2-5H3/t16-/m1/s1
InChIKey
GJPVEZJRYIBIOD-MRXNPFEDSA-N
Compound name
[(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] formate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

250.19328 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 165.3
[M+Na]+ 273.18250 173.1
[M+NH4]+ 268.22710 170.4
[M+K]+ 289.15644 167.4
[M-H]- 249.18600 162.4
[M+Na-2H]- 271.16795 165.7
[M]+ 250.19273 165.2
[M]- 250.19383 165.2
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

No patent data available for this compound.