CID 3015367

2,4,8-trimethylnon-7-en-3-ol

Structural Information

Molecular Formula
C12H24O
SMILES
CC(C)C(C(C)CCC=C(C)C)O
InChI
InChI=1S/C12H24O/c1-9(2)7-6-8-11(5)12(13)10(3)4/h7,10-13H,6,8H2,1-5H3
InChIKey
QVHCKTZIQCDTFT-UHFFFAOYSA-N
Compound name
2,4,8-trimethylnon-7-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.18271 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.189986 149.6
[M+Na]+ 207.171928 153.5
[M-H]- 183.175434 147.9
[M+NH4]+ 202.216533 168.9
[M+K]+ 223.145868 152.5
[M+H-H2O]+ 167.179970 144.9
[M+HCOO]- 229.180911 166.4
[M+CH3COO]- 243.196561 186.5
[M+Na-2H]- 205.157376 148.0
[M]+ 184.18216142 149.3
[M]- 184.18325858 149.3
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.