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

45
Patents

156.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 134.1
[M+Na]+ 179.067858 143.3
[M-H]- 155.071364 139.1
[M+NH4]+ 174.112463 152.1
[M+K]+ 195.041798 143.0
[M+H-H2O]+ 139.075900 129.7
[M+HCOO]- 201.076841 156.3
[M+CH3COO]- 215.092491 179.8
[M+Na-2H]- 177.053306 139.4
[M]+ 156.07809142 139.3
[M]- 156.07918858 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