CID 71363564

59642-07-8

Structural Information

Molecular Formula
C11H20O
SMILES
C[C@H]1CC[C@@](C1(C)C)(C)C(=O)C
InChI
InChI=1S/C11H20O/c1-8-6-7-11(5,9(2)12)10(8,3)4/h8H,6-7H2,1-5H3/t8-,11-/m0/s1
InChIKey
RUPLXQJJFFMCOX-KWQFWETISA-N
Compound name
1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 135.4
[M+Na]+ 191.140628 143.6
[M-H]- 167.144134 139.4
[M+NH4]+ 186.185233 162.2
[M+K]+ 207.114568 142.6
[M+H-H2O]+ 151.148670 132.8
[M+HCOO]- 213.149611 156.6
[M+CH3COO]- 227.165261 181.9
[M+Na-2H]- 189.126076 138.6
[M]+ 168.15086142 135.4
[M]- 168.15195858 135.4
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.