CID 19874101

1-cyclopropyl-4-methoxybutane-1,3-dione

Structural Information

Molecular Formula
C8H12O3
SMILES
COCC(=O)CC(=O)C1CC1
InChI
InChI=1S/C8H12O3/c1-11-5-7(9)4-8(10)6-2-3-6/h6H,2-5H2,1H3
InChIKey
RTGNWSGDQHXYTG-UHFFFAOYSA-N
Compound name
1-cyclopropyl-4-methoxybutane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

156.07864 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 134.0
[M+Na]+ 179.06786 144.8
[M+NH4]+ 174.11246 141.7
[M+K]+ 195.04180 142.0
[M-H]- 155.07136 140.5
[M+Na-2H]- 177.05331 140.2
[M]+ 156.07809 138.2
[M]- 156.07919 138.2
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