CID 22728826

4-cyclopentyl-2-methylbutan-2-ol

Structural Information

Molecular Formula
C10H20O
SMILES
CC(C)(CCC1CCCC1)O
InChI
InChI=1S/C10H20O/c1-10(2,11)8-7-9-5-3-4-6-9/h9,11H,3-8H2,1-2H3
InChIKey
FSZWOPFFVMYSPF-UHFFFAOYSA-N
Compound name
4-cyclopentyl-2-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

156.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 139.2
[M+Na]+ 179.140628 144.0
[M-H]- 155.144134 140.6
[M+NH4]+ 174.185233 161.3
[M+K]+ 195.114568 142.6
[M+H-H2O]+ 139.148670 134.6
[M+HCOO]- 201.149611 158.3
[M+CH3COO]- 215.165261 175.0
[M+Na-2H]- 177.126076 142.8
[M]+ 156.15086142 136.3
[M]- 156.15195858 136.3
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