CID 83819004

Tert-butyl 1-formylcyclopentane-1-carboxylate

Structural Information

Molecular Formula
C11H18O3
SMILES
CC(C)(C)OC(=O)C1(CCCC1)C=O
InChI
InChI=1S/C11H18O3/c1-10(2,3)14-9(13)11(8-12)6-4-5-7-11/h8H,4-7H2,1-3H3
InChIKey
NSPICERRKQVJIB-UHFFFAOYSA-N
Compound name
tert-butyl 1-formylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

198.1256 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 146.4
[M+Na]+ 221.11482 154.2
[M+NH4]+ 216.15942 154.7
[M+K]+ 237.08876 150.1
[M-H]- 197.11832 145.5
[M+Na-2H]- 219.10027 150.5
[M]+ 198.12505 147.1
[M]- 198.12615 147.1
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