CID 12098822

2-(2-methylpropyl)cyclobutan-1-one

Structural Information

Molecular Formula
C8H14O
SMILES
CC(C)CC1CCC1=O
InChI
InChI=1S/C8H14O/c1-6(2)5-7-3-4-8(7)9/h6-7H,3-5H2,1-2H3
InChIKey
NZUYHRGTBXISEJ-UHFFFAOYSA-N
Compound name
2-(2-methylpropyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 125.6
[M+Na]+ 149.093678 131.4
[M-H]- 125.097184 129.2
[M+NH4]+ 144.138283 141.6
[M+K]+ 165.067618 133.9
[M+H-H2O]+ 109.101720 116.1
[M+HCOO]- 171.102661 146.5
[M+CH3COO]- 185.118311 177.9
[M+Na-2H]- 147.079126 129.6
[M]+ 126.10391142 133.8
[M]- 126.10500858 133.8
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