CID 10679552

4-methyldodecan-7-ol

Structural Information

Molecular Formula
C13H28O
SMILES
CCCCCC(CCC(C)CCC)O
InChI
InChI=1S/C13H28O/c1-4-6-7-9-13(14)11-10-12(3)8-5-2/h12-14H,4-11H2,1-3H3
InChIKey
OQNUQRJLHHBVTR-UHFFFAOYSA-N
Compound name
9-methyldodecan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

200.21402 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.22130 155.9
[M+Na]+ 223.20324 159.4
[M-H]- 199.20674 153.7
[M+NH4]+ 218.24784 174.7
[M+K]+ 239.17718 157.8
[M+H-H2O]+ 183.21128 150.6
[M+HCOO]- 245.21222 174.1
[M+CH3COO]- 259.22787 189.3
[M+Na-2H]- 221.18869 156.1
[M]+ 200.21347 158.1
[M]- 200.21457 158.1
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.