CID 4418301

3-tert-butyl-2-methylcyclopentanol

Structural Information

Molecular Formula
C10H20O
SMILES
CC1C(CCC1O)C(C)(C)C
InChI
InChI=1S/C10H20O/c1-7-8(10(2,3)4)5-6-9(7)11/h7-9,11H,5-6H2,1-4H3
InChIKey
IFZDUWHLKKRFFZ-UHFFFAOYSA-N
Compound name
3-tert-butyl-2-methylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 137.4
[M+Na]+ 179.140628 144.3
[M-H]- 155.144134 139.7
[M+NH4]+ 174.185233 160.3
[M+K]+ 195.114568 142.8
[M+H-H2O]+ 139.148670 133.7
[M+HCOO]- 201.149611 156.6
[M+CH3COO]- 215.165261 176.6
[M+Na-2H]- 177.126076 139.9
[M]+ 156.15086142 135.3
[M]- 156.15195858 135.3
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.