CID 11768577

3-(2-methylpropyl)cyclobutan-1-one

Structural Information

Molecular Formula
C8H14O
SMILES
CC(C)CC1CC(=O)C1
InChI
InChI=1S/C8H14O/c1-6(2)3-7-4-8(9)5-7/h6-7H,3-5H2,1-2H3
InChIKey
XOWPQKLKMNPOKK-UHFFFAOYSA-N
Compound name
3-(2-methylpropyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

126.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 125.6
[M+Na]+ 149.09368 131.4
[M-H]- 125.09718 129.2
[M+NH4]+ 144.13828 141.6
[M+K]+ 165.06762 133.9
[M+H-H2O]+ 109.10172 116.1
[M+HCOO]- 171.10266 146.5
[M+CH3COO]- 185.11831 177.9
[M+Na-2H]- 147.07913 129.6
[M]+ 126.10391 133.8
[M]- 126.10501 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

literature stripe

Patent stripe

patents stripe