CID 107699

Cgp 35348

Structural Information

Molecular Formula
C8H20NO4P
SMILES
CCOC(OCC)P(=O)(CCCN)O
InChI
InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)
InChIKey
QIIVUOWTHWIXFO-UHFFFAOYSA-N
Compound name
3-aminopropyl(diethoxymethyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

385
References

254
Patents

225.11299 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12027 155.4
[M+Na]+ 248.10221 160.3
[M-H]- 224.10571 152.2
[M+NH4]+ 243.14681 172.9
[M+K]+ 264.07615 160.2
[M+H-H2O]+ 208.11025 147.9
[M+HCOO]- 270.11119 181.1
[M+CH3COO]- 284.12684 190.2
[M+Na-2H]- 246.08766 156.0
[M]+ 225.11244 159.2
[M]- 225.11354 159.2
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