CID 11053074

(2r)-2-[(2r,5s)-5-[(2s)-2-hydroxybutyl]oxolan-2-yl]propanoic acid

Structural Information

Molecular Formula
C11H20O4
SMILES
CC[C@@H](C[C@@H]1CC[C@@H](O1)[C@@H](C)C(=O)O)O
InChI
InChI=1S/C11H20O4/c1-3-8(12)6-9-4-5-10(15-9)7(2)11(13)14/h7-10,12H,3-6H2,1-2H3,(H,13,14)/t7-,8+,9+,10-/m1/s1
InChIKey
HTCUURQJNZBKIA-XFWSIPNHSA-N
Compound name
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

216.13615 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14343 152.5
[M+Na]+ 239.12537 156.3
[M-H]- 215.12887 153.2
[M+NH4]+ 234.16997 169.8
[M+K]+ 255.09931 156.4
[M+H-H2O]+ 199.13341 147.5
[M+HCOO]- 261.13435 168.2
[M+CH3COO]- 275.15000 184.1
[M+Na-2H]- 237.11082 151.1
[M]+ 216.13560 151.3
[M]- 216.13670 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe