CID 156524873

3,5,7-trimethyldecan-1-ol

Structural Information

Molecular Formula
C13H28O
SMILES
CCCC(C)CC(C)CC(C)CCO
InChI
InChI=1S/C13H28O/c1-5-6-11(2)9-13(4)10-12(3)7-8-14/h11-14H,5-10H2,1-4H3
InChIKey
LLIABRCDXSNLRC-UHFFFAOYSA-N
Compound name
3,5,7-trimethyldecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

200.21402 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.221296 156.1
[M+Na]+ 223.203238 159.4
[M-H]- 199.206744 153.9
[M+NH4]+ 218.247843 174.8
[M+K]+ 239.177178 158.2
[M+H-H2O]+ 183.211280 150.9
[M+HCOO]- 245.212221 173.3
[M+CH3COO]- 259.227871 190.2
[M+Na-2H]- 221.188686 155.0
[M]+ 200.21347142 157.6
[M]- 200.21456858 157.6
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