CID 6436889

1,6,10-dodecatrien-3-ol, 3,7,11-trimethyl-, formate, (s)-

Structural Information

Molecular Formula
C16H26O2
SMILES
CC(=CCC/C(=C/CC[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/b15-11+/t16-/m1/s1
InChIKey
GJPVEZJRYIBIOD-RBFDBLARSA-N
Compound name
[(3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] formate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

250.19328 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 164.1
[M+Na]+ 273.182498 168.7
[M-H]- 249.186004 163.3
[M+NH4]+ 268.227103 181.6
[M+K]+ 289.156438 165.7
[M+H-H2O]+ 233.190540 159.0
[M+HCOO]- 295.191481 182.5
[M+CH3COO]- 309.207131 198.2
[M+Na-2H]- 271.167946 164.4
[M]+ 250.19273142 167.5
[M]- 250.19382858 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.