CID 21063

Ketone, 3-ethyl-2,2-dimethylcyclobutyl methyl (z)-

Structural Information

Molecular Formula
C10H18O
SMILES
CC[C@H]1C[C@H](C1(C)C)C(=O)C
InChI
InChI=1S/C10H18O/c1-5-8-6-9(7(2)11)10(8,3)4/h8-9H,5-6H2,1-4H3/t8-,9-/m0/s1
InChIKey
XNOFWVNVNSRMKB-IUCAKERBSA-N
Compound name
1-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 134.6
[M+Na]+ 177.124988 141.4
[M-H]- 153.128494 138.8
[M+NH4]+ 172.169593 151.9
[M+K]+ 193.098928 143.5
[M+H-H2O]+ 137.133030 126.6
[M+HCOO]- 199.133971 154.9
[M+CH3COO]- 213.149621 184.4
[M+Na-2H]- 175.110436 138.1
[M]+ 154.13522142 144.3
[M]- 154.13631858 144.3
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.