CID 15389

Butyl dihydrogen phosphate

Structural Information

Molecular Formula
C4H11O4P
SMILES
CCCCOP(=O)(O)O
InChI
InChI=1S/C4H11O4P/c1-2-3-4-8-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)
InChIKey
BNMJSBUIDQYHIN-UHFFFAOYSA-N
Compound name
butyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

15649
Patents

154.03949 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.046766 133.6
[M+Na]+ 177.028708 140.9
[M-H]- 153.032214 130.2
[M+NH4]+ 172.073313 153.9
[M+K]+ 193.002648 140.7
[M+H-H2O]+ 137.036750 127.6
[M+HCOO]- 199.037691 159.7
[M+CH3COO]- 213.053341 170.2
[M+Na-2H]- 175.014156 137.8
[M]+ 154.03894142 136.5
[M]- 154.04003858 136.5
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