CID 6328684

Butaphosphan

Structural Information

Molecular Formula
C7H17NO2P
SMILES
CCCCNC(C)(C)[P+](=O)O
InChI
InChI=1S/C7H16NO2P/c1-4-5-6-8-7(2,3)11(9)10/h8H,4-6H2,1-3H3/p+1
InChIKey
YHLWPOLSPCBOPC-UHFFFAOYSA-O
Compound name
2-(butylamino)propan-2-yl-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

207
Patents

178.09969 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106966 143.4
[M+Na]+ 201.088908 149.1
[M-H]- 177.092414 141.5
[M+NH4]+ 196.133513 163.0
[M+K]+ 217.062848 143.1
[M+H-H2O]+ 161.096950 139.6
[M+HCOO]- 223.097891 169.4
[M+CH3COO]- 237.113541 176.3
[M+Na-2H]- 199.074356 148.3
[M]+ 178.09914142 143.7
[M]- 178.10023858 143.7
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