CID 317060

Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate

Structural Information

Molecular Formula
C8H12O3
SMILES
CC1(CC1)C(=O)CC(=O)OC
InChI
InChI=1S/C8H12O3/c1-8(3-4-8)6(9)5-7(10)11-2/h3-5H2,1-2H3
InChIKey
ZYDKTOHTRUZGCH-UHFFFAOYSA-N
Compound name
methyl 3-(1-methylcyclopropyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

156.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 134.1
[M+Na]+ 179.06786 143.3
[M-H]- 155.07136 139.1
[M+NH4]+ 174.11246 152.1
[M+K]+ 195.04180 143.0
[M+H-H2O]+ 139.07590 129.7
[M+HCOO]- 201.07684 156.3
[M+CH3COO]- 215.09249 179.8
[M+Na-2H]- 177.05331 139.4
[M]+ 156.07809 139.3
[M]- 156.07919 139.3
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