CID 13380

Dodecyldimethylphosphine oxide

Structural Information

Molecular Formula
C14H31OP
SMILES
CCCCCCCCCCCCP(=O)(C)C
InChI
InChI=1S/C14H31OP/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-14H2,1-3H3
InChIKey
SIDULKZCBGMXJL-UHFFFAOYSA-N
Compound name
1-dimethylphosphoryldodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2259
Patents

246.21126 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.21854 171.0
[M+Na]+ 269.20048 175.4
[M-H]- 245.20398 168.9
[M+NH4]+ 264.24508 189.5
[M+K]+ 285.17442 172.9
[M+H-H2O]+ 229.20852 163.3
[M+HCOO]- 291.20946 196.2
[M+CH3COO]- 305.22511 200.1
[M+Na-2H]- 267.18593 170.6
[M]+ 246.21071 177.5
[M]- 246.21181 177.5
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