CID 3085397

Wgcrbznymusmev-zetcqymhsa-n

Structural Information

Molecular Formula
C8H16O4
SMILES
CCCCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C8H16O4/c1-2-3-4-8(11)12-6-7(10)5-9/h7,9-10H,2-6H2,1H3/t7-/m0/s1
InChIKey
WGCRBZNYMUSMEV-ZETCQYMHSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.10486 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.112136 140.6
[M+Na]+ 199.094078 145.9
[M-H]- 175.097584 137.7
[M+NH4]+ 194.138683 159.3
[M+K]+ 215.068018 145.6
[M+H-H2O]+ 159.102120 135.8
[M+HCOO]- 221.103061 159.9
[M+CH3COO]- 235.118711 176.0
[M+Na-2H]- 197.079526 143.0
[M]+ 176.10431142 142.5
[M]- 176.10540858 142.5
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.