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 164.1
[M+Na]+ 273.18250 168.7
[M-H]- 249.18600 163.3
[M+NH4]+ 268.22710 181.6
[M+K]+ 289.15644 165.7
[M+H-H2O]+ 233.19054 159.0
[M+HCOO]- 295.19148 182.5
[M+CH3COO]- 309.20713 198.2
[M+Na-2H]- 271.16795 164.4
[M]+ 250.19273 167.5
[M]- 250.19383 167.5
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.