CID 44256517

2,6,8,12-tetramethyl-2,4-tridecadien-1-ol

Structural Information

Molecular Formula
C17H32O
SMILES
CC(C)CCCC(C)CC(C)/C=C/C=C(\C)/CO
InChI
InChI=1S/C17H32O/c1-14(2)8-6-9-15(3)12-16(4)10-7-11-17(5)13-18/h7,10-11,14-16,18H,6,8-9,12-13H2,1-5H3/b10-7+,17-11+
InChIKey
LLOCFLMXYHTSSX-NRHDHWSESA-N
Compound name
(2E,4E)-2,6,8,12-tetramethyltrideca-2,4-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

252.24532 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.25260 171.3
[M+Na]+ 275.23454 173.5
[M-H]- 251.23804 168.7
[M+NH4]+ 270.27914 187.9
[M+K]+ 291.20848 170.6
[M+H-H2O]+ 235.24258 165.8
[M+HCOO]- 297.24352 186.7
[M+CH3COO]- 311.25917 199.9
[M+Na-2H]- 273.21999 167.0
[M]+ 252.24477 172.1
[M]- 252.24587 172.1
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