CID 551696

2,2,5,5-tetramethylcyclopentan-1-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CC1(CCC(C1O)(C)C)C
InChI
InChI=1S/C9H18O/c1-8(2)5-6-9(3,4)7(8)10/h7,10H,5-6H2,1-4H3
InChIKey
FMQQHUIBLYKXFA-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

142.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 129.0
[M+Na]+ 165.12499 137.7
[M-H]- 141.12849 132.0
[M+NH4]+ 160.16959 156.3
[M+K]+ 181.09893 136.3
[M+H-H2O]+ 125.13303 126.7
[M+HCOO]- 187.13397 150.2
[M+CH3COO]- 201.14962 173.2
[M+Na-2H]- 163.11044 134.0
[M]+ 142.13522 127.8
[M]- 142.13632 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe