CID 12820038

3-cyclopropylcyclobutan-1-one

Structural Information

Molecular Formula
C7H10O
SMILES
C1CC1C2CC(=O)C2
InChI
InChI=1S/C7H10O/c8-7-3-6(4-7)5-1-2-5/h5-6H,1-4H2
InChIKey
SDMBQHUHTIYACE-UHFFFAOYSA-N
Compound name
3-cyclopropylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

110.073166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 116.0
[M+Na]+ 133.06238 124.4
[M-H]- 109.06589 123.8
[M+NH4]+ 128.10699 128.1
[M+K]+ 149.03632 125.8
[M+H-H2O]+ 93.070426 106.0
[M+HCOO]- 155.07137 138.7
[M+CH3COO]- 169.08702 176.3
[M+Na-2H]- 131.04783 122.7
[M]+ 110.07262 125.3
[M]- 110.07371 125.3
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