CID 3084534

4,4,8,8-tetramethyl-1-nonanol

Structural Information

Molecular Formula
C13H28O
SMILES
CC(C)(C)CCCC(C)(C)CCCO
InChI
InChI=1S/C13H28O/c1-12(2,3)8-6-9-13(4,5)10-7-11-14/h14H,6-11H2,1-5H3
InChIKey
WKTVRTJDPYXQSZ-UHFFFAOYSA-N
Compound name
4,4,8,8-tetramethylnonan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

200.21402 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.221296 154.1
[M+Na]+ 223.203238 159.1
[M-H]- 199.206744 152.5
[M+NH4]+ 218.247843 173.4
[M+K]+ 239.177178 157.5
[M+H-H2O]+ 183.211280 150.1
[M+HCOO]- 245.212221 171.3
[M+CH3COO]- 259.227871 187.9
[M+Na-2H]- 221.188686 158.5
[M]+ 200.21347142 156.6
[M]- 200.21456858 156.6
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