CID 11735753

Tert-butyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate

Structural Information

Molecular Formula
C11H18O3
SMILES
CC1(C(C1C(=O)OC(C)(C)C)C=O)C
InChI
InChI=1S/C11H18O3/c1-10(2,3)14-9(13)8-7(6-12)11(8,4)5/h6-8H,1-5H3
InChIKey
JCOOCDUHQWDERL-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

198.1256 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 146.7
[M+Na]+ 221.11482 158.1
[M+NH4]+ 216.15942 155.4
[M+K]+ 237.08876 153.8
[M-H]- 197.11832 153.1
[M+Na-2H]- 219.10027 153.7
[M]+ 198.12505 151.3
[M]- 198.12615 151.3
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