CID 11971332

Beta,2,2,4-tetramethylcyclopentanepropanol

Structural Information

Molecular Formula
C12H24O
SMILES
CC1CC(C(C1)(C)C)CC(C)CO
InChI
InChI=1S/C12H24O/c1-9-5-11(6-10(2)8-13)12(3,4)7-9/h9-11,13H,5-8H2,1-4H3
InChIKey
JDXDZOPSWDWWDU-UHFFFAOYSA-N
Compound name
2-methyl-3-(2,2,4-trimethylcyclopentyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.189986 145.6
[M+Na]+ 207.171928 151.7
[M-H]- 183.175434 147.5
[M+NH4]+ 202.216533 169.1
[M+K]+ 223.145868 149.9
[M+H-H2O]+ 167.179970 141.8
[M+HCOO]- 229.180911 164.6
[M+CH3COO]- 243.196561 183.3
[M+Na-2H]- 205.157376 146.2
[M]+ 184.18216142 144.3
[M]- 184.18325858 144.3
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.