CID 23148865

3-(2-methylpropyl)cyclopentan-1-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CC(C)CC1CCC(C1)O
InChI
InChI=1S/C9H18O/c1-7(2)5-8-3-4-9(10)6-8/h7-10H,3-6H2,1-2H3
InChIKey
GUSLPUXZPBPLOD-UHFFFAOYSA-N
Compound name
3-(2-methylpropyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

142.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 134.6
[M+Na]+ 165.12499 140.1
[M-H]- 141.12849 136.3
[M+NH4]+ 160.16959 157.4
[M+K]+ 181.09893 138.9
[M+H-H2O]+ 125.13303 129.9
[M+HCOO]- 187.13397 154.6
[M+CH3COO]- 201.14962 173.5
[M+Na-2H]- 163.11044 136.1
[M]+ 142.13522 131.5
[M]- 142.13632 131.5
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