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
1
Annotation Hits

0
References

1
Patents

200.21402 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.22130 154.1
[M+Na]+ 223.20324 159.1
[M-H]- 199.20674 152.5
[M+NH4]+ 218.24784 173.4
[M+K]+ 239.17718 157.5
[M+H-H2O]+ 183.21128 150.1
[M+HCOO]- 245.21222 171.3
[M+CH3COO]- 259.22787 187.9
[M+Na-2H]- 221.18869 158.5
[M]+ 200.21347 156.6
[M]- 200.21457 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