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

26
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 145.7
[M+Na]+ 221.11482 151.9
[M-H]- 197.11832 148.9
[M+NH4]+ 216.15942 168.7
[M+K]+ 237.08876 151.5
[M+H-H2O]+ 181.12286 141.9
[M+HCOO]- 243.12380 165.9
[M+CH3COO]- 257.13945 181.8
[M+Na-2H]- 219.10027 149.7
[M]+ 198.12505 146.2
[M]- 198.12615 146.2
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