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

37
Patents

142.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 129.0
[M+Na]+ 165.124988 137.7
[M-H]- 141.128494 132.0
[M+NH4]+ 160.169593 156.3
[M+K]+ 181.098928 136.3
[M+H-H2O]+ 125.133030 126.7
[M+HCOO]- 187.133971 150.2
[M+CH3COO]- 201.149621 173.2
[M+Na-2H]- 163.110436 134.0
[M]+ 142.13522142 127.8
[M]- 142.13631858 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