CID 90924

4-methyl-4-nonanol

Structural Information

Molecular Formula
C10H22O
SMILES
CCCCCC(C)(CCC)O
InChI
InChI=1S/C10H22O/c1-4-6-7-9-10(3,11)8-5-2/h11H,4-9H2,1-3H3
InChIKey
GDCOAKPWVJCNGI-UHFFFAOYSA-N
Compound name
4-methylnonan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1519
Patents

158.16707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.174346 141.0
[M+Na]+ 181.156288 146.6
[M-H]- 157.159794 139.5
[M+NH4]+ 176.200893 161.7
[M+K]+ 197.130228 145.3
[M+H-H2O]+ 141.164330 136.8
[M+HCOO]- 203.165271 160.7
[M+CH3COO]- 217.180921 179.0
[M+Na-2H]- 179.141736 146.1
[M]+ 158.16652142 142.9
[M]- 158.16761858 142.9
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

patents stripe