CID 23501988

2,2,3-trimethylcyclopentan-1-one

Structural Information

Molecular Formula
C8H14O
SMILES
CC1CCC(=O)C1(C)C
InChI
InChI=1S/C8H14O/c1-6-4-5-7(9)8(6,2)3/h6H,4-5H2,1-3H3
InChIKey
AVFZQHWFGFKQIG-UHFFFAOYSA-N
Compound name
2,2,3-trimethylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

669
Patents

126.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 124.2
[M+Na]+ 149.093678 133.1
[M-H]- 125.097184 128.4
[M+NH4]+ 144.138283 150.8
[M+K]+ 165.067618 132.2
[M+H-H2O]+ 109.101720 120.9
[M+HCOO]- 171.102661 147.4
[M+CH3COO]- 185.118311 172.2
[M+Na-2H]- 147.079126 128.9
[M]+ 126.10391142 123.4
[M]- 126.10500858 123.4
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.