CID 12615539

1-cyclopropylpent-4-en-1-one

Structural Information

Molecular Formula
C8H12O
SMILES
C=CCCC(=O)C1CC1
InChI
InChI=1S/C8H12O/c1-2-3-4-8(9)7-5-6-7/h2,7H,1,3-6H2
InChIKey
OIDXUJYURMOPIR-UHFFFAOYSA-N
Compound name
1-cyclopropylpent-4-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

124.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 126.7
[M+Na]+ 147.07803 135.4
[M-H]- 123.08153 131.3
[M+NH4]+ 142.12263 144.1
[M+K]+ 163.05197 133.3
[M+H-H2O]+ 107.08607 121.0
[M+HCOO]- 169.08701 149.9
[M+CH3COO]- 183.10266 176.4
[M+Na-2H]- 145.06348 132.2
[M]+ 124.08826 129.3
[M]- 124.08936 129.3
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