CID 61056

2,6,8-trimethyl-4-nonanol

Structural Information

Molecular Formula
C12H26O
SMILES
CC(C)CC(C)CC(CC(C)C)O
InChI
InChI=1S/C12H26O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-13H,6-8H2,1-5H3
InChIKey
LFEHSRSSAGQWNI-UHFFFAOYSA-N
Compound name
2,6,8-trimethylnonan-4-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

858
Patents

186.19836 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.20564 151.2
[M+Na]+ 209.18758 154.7
[M-H]- 185.19108 149.4
[M+NH4]+ 204.23218 170.4
[M+K]+ 225.16152 154.4
[M+H-H2O]+ 169.19562 146.4
[M+HCOO]- 231.19656 167.8
[M+CH3COO]- 245.21221 188.1
[M+Na-2H]- 207.17303 149.5
[M]+ 186.19781 151.7
[M]- 186.19891 151.7
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