CID 129405363

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

Structural Information

Molecular Formula
C11H20O3
SMILES
CC(C)(C)OC(=O)[C@@H]1CC[C@@H](C1)CO
InChI
InChI=1S/C11H20O3/c1-11(2,3)14-10(13)9-5-4-8(6-9)7-12/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKey
LUNDLKGGAIWLSU-DTWKUNHWSA-N
Compound name
tert-butyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.14125 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14853 148.0
[M+Na]+ 223.13047 153.4
[M-H]- 199.13397 149.8
[M+NH4]+ 218.17507 168.5
[M+K]+ 239.10441 152.6
[M+H-H2O]+ 183.13851 143.6
[M+HCOO]- 245.13945 166.5
[M+CH3COO]- 259.15510 181.7
[M+Na-2H]- 221.11592 149.5
[M]+ 200.14070 147.3
[M]- 200.14180 147.3
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.