CID 16205463

84196-07-6

Structural Information

Molecular Formula
C12H27O4P
SMILES
CC(C)CC(C)OP(=O)(O)OC(C)CC(C)C
InChI
InChI=1S/C12H27O4P/c1-9(2)7-11(5)15-17(13,14)16-12(6)8-10(3)4/h9-12H,7-8H2,1-6H3,(H,13,14)
InChIKey
YGTBMOOSDOYPEI-UHFFFAOYSA-N
Compound name
bis(4-methylpentan-2-yl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

266.1647 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.171976 169.3
[M+Na]+ 289.153918 173.0
[M-H]- 265.157424 166.4
[M+NH4]+ 284.198523 185.8
[M+K]+ 305.127858 173.8
[M+H-H2O]+ 249.161960 162.2
[M+HCOO]- 311.162901 190.5
[M+CH3COO]- 325.178551 200.4
[M+Na-2H]- 287.139366 165.2
[M]+ 266.16415142 174.8
[M]- 266.16524858 174.8
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