CID 118116366

Cyclopentanol, 1-ethyl-2-(3-methylbutyl)-

Structural Information

Molecular Formula
C12H24O
SMILES
CCC1(CCCC1CCC(C)C)O
InChI
InChI=1S/C12H24O/c1-4-12(13)9-5-6-11(12)8-7-10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKey
SFKWXVLCKLVKFE-UHFFFAOYSA-N
Compound name
1-ethyl-2-(3-methylbutyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

184.18271 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.189986 147.0
[M+Na]+ 207.171928 152.2
[M-H]- 183.175434 148.6
[M+NH4]+ 202.216533 170.2
[M+K]+ 223.145868 150.3
[M+H-H2O]+ 167.179970 142.8
[M+HCOO]- 229.180911 166.1
[M+CH3COO]- 243.196561 182.2
[M+Na-2H]- 205.157376 148.1
[M]+ 184.18216142 145.3
[M]- 184.18325858 145.3
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

patents stripe