CID 21063

4951-97-7

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]+ 155.14305 134.6
[M+Na]+ 177.12499 141.4
[M-H]- 153.12849 138.8
[M+NH4]+ 172.16959 151.9
[M+K]+ 193.09893 143.5
[M+H-H2O]+ 137.13303 126.6
[M+HCOO]- 199.13397 154.9
[M+CH3COO]- 213.14962 184.4
[M+Na-2H]- 175.11044 138.1
[M]+ 154.13522 144.3
[M]- 154.13632 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.