CID 256371

5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)-1-octanol

Structural Information

Molecular Formula
C18H38O
SMILES
CC(CCC(CO)C(C)CC(C)(C)C)CC(C)(C)C
InChI
InChI=1S/C18H38O/c1-14(11-17(3,4)5)9-10-16(13-19)15(2)12-18(6,7)8/h14-16,19H,9-13H2,1-8H3
InChIKey
XVTOMLAMPUXGPS-UHFFFAOYSA-N
Compound name
2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

428
Patents

270.29227 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.29955 174.8
[M+Na]+ 293.28149 177.2
[M-H]- 269.28499 172.6
[M+NH4]+ 288.32609 191.3
[M+K]+ 309.25543 175.9
[M+H-H2O]+ 253.28953 170.4
[M+HCOO]- 315.29047 187.5
[M+CH3COO]- 329.30612 204.7
[M+Na-2H]- 291.26694 173.2
[M]+ 270.29172 177.2
[M]- 270.29282 177.2
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

No patent data available for this compound.