CID 86798

5-amino-1,1-dimethylhexyl dihydrogen phosphate

Structural Information

Molecular Formula
C8H20NO4P
SMILES
CC(CCCC(C)(C)OP(=O)(O)O)N
InChI
InChI=1S/C8H20NO4P/c1-7(9)5-4-6-8(2,3)13-14(10,11)12/h7H,4-6,9H2,1-3H3,(H2,10,11,12)
InChIKey
JUFGOWAGSGRBGQ-UHFFFAOYSA-N
Compound name
(6-amino-2-methylheptan-2-yl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11299 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.120266 156.4
[M+Na]+ 248.102208 161.2
[M-H]- 224.105714 152.0
[M+NH4]+ 243.146813 173.2
[M+K]+ 264.076148 160.7
[M+H-H2O]+ 208.110250 149.8
[M+HCOO]- 270.111191 178.9
[M+CH3COO]- 284.126841 188.1
[M+Na-2H]- 246.087656 157.6
[M]+ 225.11244142 157.6
[M]- 225.11353858 157.6
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.