CID 21972054

(3e)-2,4,8-trimethylnona-3,7-dien-2-ol

Structural Information

Molecular Formula
C12H22O
SMILES
CC(=CCC/C(=C/C(C)(C)O)/C)C
InChI
InChI=1S/C12H22O/c1-10(2)7-6-8-11(3)9-12(4,5)13/h7,9,13H,6,8H2,1-5H3/b11-9+
InChIKey
BPIALUCKEZWHIF-PKNBQFBNSA-N
Compound name
(3E)-2,4,8-trimethylnona-3,7-dien-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

56
Patents

182.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 146.8
[M+Na]+ 205.15629 152.0
[M-H]- 181.15979 145.3
[M+NH4]+ 200.20089 166.5
[M+K]+ 221.13023 149.9
[M+H-H2O]+ 165.16433 142.7
[M+HCOO]- 227.16527 164.3
[M+CH3COO]- 241.18092 183.4
[M+Na-2H]- 203.14174 148.5
[M]+ 182.16652 146.6
[M]- 182.16762 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe