CID 22765385

3,4,7-trimethyl-2e,6-nonadien-1-ol

Structural Information

Molecular Formula
C12H22O
SMILES
CC/C(=C/CC(C)/C(=C/CO)/C)/C
InChI
InChI=1S/C12H22O/c1-5-10(2)6-7-11(3)12(4)8-9-13/h6,8,11,13H,5,7,9H2,1-4H3/b10-6+,12-8+
InChIKey
MBJNLCTZRSETAT-ANGAUAEMSA-N
Compound name
(2E,6E)-3,4,7-trimethylnona-2,6-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

182.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 148.2
[M+Na]+ 205.15629 152.7
[M-H]- 181.15979 146.5
[M+NH4]+ 200.20089 167.7
[M+K]+ 221.13023 150.7
[M+H-H2O]+ 165.16433 143.5
[M+HCOO]- 227.16527 166.3
[M+CH3COO]- 241.18092 184.0
[M+Na-2H]- 203.14174 147.9
[M]+ 182.16652 147.8
[M]- 182.16762 147.8
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