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

931
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

literature stripe

Patent stripe

patents stripe