CID 84299

Bis(2-butoxyethyl) hydrogen phosphate

Structural Information

Molecular Formula
C12H27O6P
SMILES
CCCCOCCOP(=O)(O)OCCOCCCC
InChI
InChI=1S/C12H27O6P/c1-3-5-7-15-9-11-17-19(13,14)18-12-10-16-8-6-4-2/h3-12H2,1-2H3,(H,13,14)
InChIKey
NNXWIPHZHATIFE-UHFFFAOYSA-N
Compound name
bis(2-butoxyethyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

193
Patents

298.1545 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16178 174.1
[M+Na]+ 321.14372 178.3
[M-H]- 297.14722 170.7
[M+NH4]+ 316.18832 189.3
[M+K]+ 337.11766 178.2
[M+H-H2O]+ 281.15176 165.8
[M+HCOO]- 343.15270 199.6
[M+CH3COO]- 357.16835 201.2
[M+Na-2H]- 319.12917 175.3
[M]+ 298.15395 185.0
[M]- 298.15505 185.0
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