CID 20836442

Phosphonic acid, bis(2-methylpentyl) ester

Structural Information

Molecular Formula
C12H26O3P
SMILES
CCCC(C)CO[P+](=O)OCC(C)CCC
InChI
InChI=1S/C12H26O3P/c1-5-7-11(3)9-14-16(13)15-10-12(4)8-6-2/h11-12H,5-10H2,1-4H3/q+1
InChIKey
NGEQUSKTIGQINV-UHFFFAOYSA-N
Compound name
bis(2-methylpentoxy)-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

249.16196 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.169236 167.0
[M+Na]+ 272.151178 171.2
[M-H]- 248.154684 165.6
[M+NH4]+ 267.195783 184.7
[M+K]+ 288.125118 165.9
[M+H-H2O]+ 232.159220 162.0
[M+HCOO]- 294.160161 191.7
[M+CH3COO]- 308.175811 192.7
[M+Na-2H]- 270.136626 166.1
[M]+ 249.16141142 172.7
[M]- 249.16250858 172.7
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