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]+ 201.22130 156.1
[M+Na]+ 223.20324 159.4
[M-H]- 199.20674 153.9
[M+NH4]+ 218.24784 174.8
[M+K]+ 239.17718 158.2
[M+H-H2O]+ 183.21128 150.9
[M+HCOO]- 245.21222 173.3
[M+CH3COO]- 259.22787 190.2
[M+Na-2H]- 221.18869 155.0
[M]+ 200.21347 157.6
[M]- 200.21457 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