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

183
Patents

298.1545 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.161776 174.1
[M+Na]+ 321.143718 178.3
[M-H]- 297.147224 170.7
[M+NH4]+ 316.188323 189.3
[M+K]+ 337.117658 178.2
[M+H-H2O]+ 281.151760 165.8
[M+HCOO]- 343.152701 199.6
[M+CH3COO]- 357.168351 201.2
[M+Na-2H]- 319.129166 175.3
[M]+ 298.15395142 185.0
[M]- 298.15504858 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