CID 312546

Phosphonic acid, (1,1-dimethylethyl)-

Structural Information

Molecular Formula
C4H11O3P
SMILES
CC(C)(C)P(=O)(O)O
InChI
InChI=1S/C4H11O3P/c1-4(2,3)8(5,6)7/h1-3H3,(H2,5,6,7)
InChIKey
OGDSVONAYZTTDA-UHFFFAOYSA-N
Compound name
tert-butylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

1850
Patents

138.04459 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.051866 131.4
[M+Na]+ 161.033808 139.4
[M-H]- 137.037314 128.5
[M+NH4]+ 156.078413 152.7
[M+K]+ 177.007748 139.1
[M+H-H2O]+ 121.041850 126.5
[M+HCOO]- 183.042791 155.7
[M+CH3COO]- 197.058441 167.8
[M+Na-2H]- 159.019256 136.5
[M]+ 138.04404142 132.3
[M]- 138.04513858 132.3
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