CID 549854

2-methoxydecanoic acid

Structural Information

Molecular Formula
C11H22O3
SMILES
CCCCCCCCC(C(=O)O)OC
InChI
InChI=1S/C11H22O3/c1-3-4-5-6-7-8-9-10(14-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
InChIKey
WMKSSGPYLVBYJC-UHFFFAOYSA-N
Compound name
2-methoxydecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

202.15689 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.16417 150.9
[M+Na]+ 225.14611 155.4
[M-H]- 201.14961 149.0
[M+NH4]+ 220.19071 169.3
[M+K]+ 241.12005 154.7
[M+H-H2O]+ 185.15415 145.6
[M+HCOO]- 247.15509 170.5
[M+CH3COO]- 261.17074 186.3
[M+Na-2H]- 223.13156 152.2
[M]+ 202.15634 154.5
[M]- 202.15744 154.5
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