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
3
Annotation Hits

0
References

14
Patents

184.18271 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.18999 147.0
[M+Na]+ 207.17193 152.2
[M-H]- 183.17543 148.6
[M+NH4]+ 202.21653 170.2
[M+K]+ 223.14587 150.3
[M+H-H2O]+ 167.17997 142.8
[M+HCOO]- 229.18091 166.1
[M+CH3COO]- 243.19656 182.2
[M+Na-2H]- 205.15738 148.1
[M]+ 184.18216 145.3
[M]- 184.18326 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