CID 155821486

Rac-(2r,5r)-5-pentyloxolane-2-carboxylic acid

Structural Information

Molecular Formula
C10H18O3
SMILES
CCCCC[C@@H]1CC[C@@H](O1)C(=O)O
InChI
InChI=1S/C10H18O3/c1-2-3-4-5-8-6-7-9(13-8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/t8-,9-/m1/s1
InChIKey
RRCYNWGXMCGPQQ-RKDXNWHRSA-N
Compound name
(2R,5R)-5-pentyloxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1256 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.132876 143.7
[M+Na]+ 209.114818 149.0
[M-H]- 185.118324 145.8
[M+NH4]+ 204.159423 163.2
[M+K]+ 225.088758 148.7
[M+H-H2O]+ 169.122860 138.6
[M+HCOO]- 231.123801 163.1
[M+CH3COO]- 245.139451 179.7
[M+Na-2H]- 207.100266 145.7
[M]+ 186.12505142 143.8
[M]- 186.12614858 143.8
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.