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
trans-(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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 133.8
[M+Na]+ 165.124988 140.1
[M-H]- 141.128494 135.9
[M+NH4]+ 160.169593 156.9
[M+K]+ 181.098928 138.9
[M+H-H2O]+ 125.133030 129.9
[M+HCOO]- 187.133971 153.3
[M+CH3COO]- 201.149621 172.4
[M+Na-2H]- 163.110436 137.4
[M]+ 142.13522142 130.9
[M]- 142.13631858 130.9
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