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

4
Patents

216.13615 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.143426 152.5
[M+Na]+ 239.125368 156.3
[M-H]- 215.128874 153.2
[M+NH4]+ 234.169973 169.8
[M+K]+ 255.099308 156.4
[M+H-H2O]+ 199.133410 147.5
[M+HCOO]- 261.134351 168.2
[M+CH3COO]- 275.150001 184.1
[M+Na-2H]- 237.110816 151.1
[M]+ 216.13560142 151.3
[M]- 216.13669858 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.