CID 172501

6,8-dimethylnonan-2-ol

Structural Information

Molecular Formula
C11H24O
SMILES
CC(C)CC(C)CCCC(C)O
InChI
InChI=1S/C11H24O/c1-9(2)8-10(3)6-5-7-11(4)12/h9-12H,5-8H2,1-4H3
InChIKey
HDQVGGOVPFQTRB-UHFFFAOYSA-N
Compound name
6,8-dimethylnonan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1705
Patents

172.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.18999 146.7
[M+Na]+ 195.17193 150.8
[M-H]- 171.17543 145.0
[M+NH4]+ 190.21653 166.6
[M+K]+ 211.14587 150.3
[M+H-H2O]+ 155.17997 141.9
[M+HCOO]- 217.18091 164.6
[M+CH3COO]- 231.19656 184.2
[M+Na-2H]- 193.15738 146.8
[M]+ 172.18216 147.5
[M]- 172.18326 147.5
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