CID 77032

Dodecane, 1-methoxy-

Structural Information

Molecular Formula
C13H28O
SMILES
CCCCCCCCCCCCOC
InChI
InChI=1S/C13H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h3-13H2,1-2H3
InChIKey
JWCACDSKXWPOFF-UHFFFAOYSA-N
Compound name
1-methoxydodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1052
Patents

200.21402 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.22130 154.0
[M+Na]+ 223.20324 158.3
[M-H]- 199.20674 153.0
[M+NH4]+ 218.24784 173.6
[M+K]+ 239.17718 156.9
[M+H-H2O]+ 183.21128 148.3
[M+HCOO]- 245.21222 175.8
[M+CH3COO]- 259.22787 190.5
[M+Na-2H]- 221.18869 157.4
[M]+ 200.21347 159.5
[M]- 200.21457 159.5
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.