CID 10889304

Homononactinic 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-/m0/s1
InChIKey
HTCUURQJNZBKIA-JLIMGVALSA-N
Compound name
(2S)-2-[(2S,5R)-5-[(2R)-2-hydroxybutyl]oxolan-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.