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]+ 199.132876 145.7
[M+Na]+ 221.114818 151.9
[M-H]- 197.118324 148.9
[M+NH4]+ 216.159423 168.7
[M+K]+ 237.088758 151.5
[M+H-H2O]+ 181.122860 141.9
[M+HCOO]- 243.123801 165.9
[M+CH3COO]- 257.139451 181.8
[M+Na-2H]- 219.100266 149.7
[M]+ 198.12505142 146.2
[M]- 198.12614858 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