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]+ 125.096086 126.7
[M+Na]+ 147.078028 135.4
[M-H]- 123.081534 131.3
[M+NH4]+ 142.122633 144.1
[M+K]+ 163.051968 133.3
[M+H-H2O]+ 107.086070 121.0
[M+HCOO]- 169.087011 149.9
[M+CH3COO]- 183.102661 176.4
[M+Na-2H]- 145.063476 132.2
[M]+ 124.08826142 129.3
[M]- 124.08935858 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