CID 419752

Diethyl 1-amino-2-methylbutylphosphonate

Structural Information

Molecular Formula
C9H22NO3P
SMILES
CCC(C)C(N)P(=O)(OCC)OCC
InChI
InChI=1S/C9H22NO3P/c1-5-8(4)9(10)14(11,12-6-2)13-7-3/h8-9H,5-7,10H2,1-4H3
InChIKey
WLXZADYPHWHTPD-UHFFFAOYSA-N
Compound name
1-diethoxyphosphoryl-2-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.13373 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14101 157.2
[M+Na]+ 246.12295 162.0
[M-H]- 222.12645 155.4
[M+NH4]+ 241.16755 175.6
[M+K]+ 262.09689 162.5
[M+H-H2O]+ 206.13099 149.7
[M+HCOO]- 268.13193 182.9
[M+CH3COO]- 282.14758 194.5
[M+Na-2H]- 244.10840 156.4
[M]+ 223.13318 161.3
[M]- 223.13428 161.3
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.