CID 54050780

Schembl8489332

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

20
Patents

198.1256 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 144.3
[M+Na]+ 221.11482 153.0
[M-H]- 197.11832 149.1
[M+NH4]+ 216.15942 159.4
[M+K]+ 237.08876 151.4
[M+H-H2O]+ 181.12286 139.2
[M+HCOO]- 243.12380 164.5
[M+CH3COO]- 257.13945 189.6
[M+Na-2H]- 219.10027 147.3
[M]+ 198.12505 150.2
[M]- 198.12615 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