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
3
Annotation Hits

0
References

48
Patents

182.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 146.8
[M+Na]+ 205.156288 152.0
[M-H]- 181.159794 145.3
[M+NH4]+ 200.200893 166.5
[M+K]+ 221.130228 149.9
[M+H-H2O]+ 165.164330 142.7
[M+HCOO]- 227.165271 164.3
[M+CH3COO]- 241.180921 183.4
[M+Na-2H]- 203.141736 148.5
[M]+ 182.16652142 146.6
[M]- 182.16761858 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