CID 21118817

2-propanol, 1-(2-butoxyethoxy)-, phosphate

Structural Information

Molecular Formula
C9H21O6P
SMILES
CCCCOCCOCC(C)OP(=O)(O)O
InChI
InChI=1S/C9H21O6P/c1-3-4-5-13-6-7-14-8-9(2)15-16(10,11)12/h9H,3-8H2,1-2H3,(H2,10,11,12)
InChIKey
OWRCLXNYWBYXJP-UHFFFAOYSA-N
Compound name
1-(2-butoxyethoxy)propan-2-yl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10757 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11485 161.3
[M+Na]+ 279.09679 166.0
[M-H]- 255.10029 157.0
[M+NH4]+ 274.14139 177.3
[M+K]+ 295.07073 166.2
[M+H-H2O]+ 239.10483 153.8
[M+HCOO]- 301.10577 185.2
[M+CH3COO]- 315.12142 190.4
[M+Na-2H]- 277.08224 162.2
[M]+ 256.10702 168.3
[M]- 256.10812 168.3
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.