CID 167740976

Rac-tert-butyl (1r,3s)-3-formylcyclopentane-1-carboxylate

Structural Information

Molecular Formula
C11H18O3
SMILES
CC(C)(C)OC(=O)[C@@H]1CC[C@@H](C1)C=O
InChI
InChI=1S/C11H18O3/c1-11(2,3)14-10(13)9-5-4-8(6-9)7-12/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKey
ODIJKESZXBHZRF-DTWKUNHWSA-N
Compound name
cis-tert-butyl (1R,3S)-3-formylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

1.4
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 149.0
[M+NH4]+ 216.159423 167.0
[M+K]+ 237.088758 151.4
[M+H-H2O]+ 181.122860 141.2
[M+HCOO]- 243.123801 166.0
[M+CH3COO]- 257.139451 183.4
[M+Na-2H]- 219.100266 147.8
[M]+ 198.12505142 146.3
[M]- 198.12614858 146.3
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

No patent data available for this compound.