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

12
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

literature stripe

Patent stripe

patents stripe