CID 72084

1-(n-butylamino)-1-methylethyl phosphonous acid

Structural Information

Molecular Formula
C7H18NO2P
SMILES
CCCCNC(C)(C)P(=O)O
InChI
InChI=1S/C7H18NO2P/c1-4-5-6-8-7(2,3)11(9)10/h8,11H,4-6H2,1-3H3,(H,9,10)
InChIKey
WCXWARPXYQCRPP-UHFFFAOYSA-N
Compound name
2-(butylamino)propan-2-ylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

0
Patents

179.10751 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11479 145.7
[M+Na]+ 202.09673 151.2
[M-H]- 178.10023 143.3
[M+NH4]+ 197.14133 165.5
[M+K]+ 218.07067 150.6
[M+H-H2O]+ 162.10477 138.9
[M+HCOO]- 224.10571 171.9
[M+CH3COO]- 238.12136 183.6
[M+Na-2H]- 200.08218 147.5
[M]+ 179.10696 147.3
[M]- 179.10806 147.3
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.