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]+ 157.15869 137.4
[M+Na]+ 179.14063 144.3
[M-H]- 155.14413 139.7
[M+NH4]+ 174.18523 160.3
[M+K]+ 195.11457 142.8
[M+H-H2O]+ 139.14867 133.7
[M+HCOO]- 201.14961 156.6
[M+CH3COO]- 215.16526 176.6
[M+Na-2H]- 177.12608 139.9
[M]+ 156.15086 135.3
[M]- 156.15196 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.