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

90
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 143.5
[M+Na]+ 221.11482 153.9
[M-H]- 197.11832 148.9
[M+NH4]+ 216.15942 160.9
[M+K]+ 237.08876 152.8
[M+H-H2O]+ 181.12286 140.1
[M+HCOO]- 243.12380 164.2
[M+CH3COO]- 257.13945 189.6
[M+Na-2H]- 219.10027 148.4
[M]+ 198.12505 150.8
[M]- 198.12615 150.8
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