CID 54050780

134302-10-6

Structural Information

Molecular Formula
C11H18O3
SMILES
CC1CC1C(=O)CC(=O)OC(C)(C)C
InChI
InChI=1S/C11H18O3/c1-7-5-8(7)9(12)6-10(13)14-11(2,3)4/h7-8H,5-6H2,1-4H3
InChIKey
LSSFSWPYCNKQPJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-methylcyclopropyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

198.1256 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.132876 144.3
[M+Na]+ 221.114818 153.0
[M-H]- 197.118324 149.1
[M+NH4]+ 216.159423 159.4
[M+K]+ 237.088758 151.4
[M+H-H2O]+ 181.122860 139.2
[M+HCOO]- 243.123801 164.5
[M+CH3COO]- 257.139451 189.6
[M+Na-2H]- 219.100266 147.3
[M]+ 198.12505142 150.2
[M]- 198.12614858 150.2
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