CID 14029718

Methyl 5-hydroxydecanoate

Structural Information

Molecular Formula
C11H22O3
SMILES
CCCCCC(CCCC(=O)OC)O
InChI
InChI=1S/C11H22O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h10,12H,3-9H2,1-2H3
InChIKey
KJAPWGDDKZVZNV-UHFFFAOYSA-N
Compound name
methyl 5-hydroxydecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

16
Patents

202.15689 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.16417 151.1
[M+Na]+ 225.14611 155.7
[M-H]- 201.14961 149.2
[M+NH4]+ 220.19071 169.7
[M+K]+ 241.12005 155.0
[M+H-H2O]+ 185.15415 145.8
[M+HCOO]- 247.15509 170.7
[M+CH3COO]- 261.17074 185.6
[M+Na-2H]- 223.13156 152.5
[M]+ 202.15634 154.7
[M]- 202.15744 154.7
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

patents stripe