CID 12524130

2-cyclopropylcyclobutanone

Structural Information

Molecular Formula
C7H10O
SMILES
C1CC1C2CCC2=O
InChI
InChI=1S/C7H10O/c8-7-4-3-6(7)5-1-2-5/h5-6H,1-4H2
InChIKey
YQRHORUEAGYIGR-UHFFFAOYSA-N
Compound name
2-cyclopropylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

110.073166 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 120.4
[M+Na]+ 133.06238 129.0
[M+NH4]+ 128.10699 126.6
[M+K]+ 149.03632 126.6
[M-H]- 109.06589 127.1
[M+Na-2H]- 131.04783 127.1
[M]+ 110.07262 123.4
[M]- 110.07371 123.4
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