CID 21949865

1-cyclopropylpentane-1,3-dione

Structural Information

Molecular Formula
C8H12O2
SMILES
CCC(=O)CC(=O)C1CC1
InChI
InChI=1S/C8H12O2/c1-2-7(9)5-8(10)6-3-4-6/h6H,2-5H2,1H3
InChIKey
OWEWZFCREOKWIV-UHFFFAOYSA-N
Compound name
1-cyclopropylpentane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

140.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 129.9
[M+Na]+ 163.07294 138.4
[M-H]- 139.07644 134.6
[M+NH4]+ 158.11754 146.7
[M+K]+ 179.04688 136.9
[M+H-H2O]+ 123.08098 124.3
[M+HCOO]- 185.08192 152.4
[M+CH3COO]- 199.09757 179.0
[M+Na-2H]- 161.05839 134.2
[M]+ 140.08317 133.4
[M]- 140.08427 133.4
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