CID 60085152

40557-26-4

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC(C)(C)[C@@H]1CCC[C@H]1O

InChI

InChI=1S/C9H18O/c1-9(2,3)7-5-4-6-8(7)10/h7-8,10H,4-6H2,1-3H3/t7-,8-/m1/s1

InChIKey

OZFCDDMZWNHANP-HTQZYQBOSA-N

Compound name

(1R,2S)-2-tert-butylcyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 142.13577 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	143.14305	133.0
[M+Na]+	165.12499	142.2
[M+NH4]+	160.16959	141.7
[M+K]+	181.09893	139.0
[M-H]-	141.12849	133.5
[M+Na-2H]-	163.11044	136.7
[M]+	142.13522	134.3
[M]-	142.13632	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe