CID 54594613

2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-one

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C)COC1CC(=O)C1(C)C
InChI
InChI=1S/C10H18O2/c1-7(2)6-12-9-5-8(11)10(9,3)4/h7,9H,5-6H2,1-4H3
InChIKey
XWHNGZJGGCPHFF-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 137.5
[M+Na]+ 193.11990 144.0
[M-H]- 169.12340 141.5
[M+NH4]+ 188.16450 153.9
[M+K]+ 209.09384 146.6
[M+H-H2O]+ 153.12794 129.2
[M+HCOO]- 215.12888 157.9
[M+CH3COO]- 229.14453 186.3
[M+Na-2H]- 191.10535 140.9
[M]+ 170.13013 148.5
[M]- 170.13123 148.5
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

patents stripe