CID 405383

94200-61-0

Structural Information

Molecular Formula

C₅H₁₃NO₇P₂

SMILES

C1COCCN1C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C5H13NO7P2/c7-14(8,9)5(15(10,11)12)6-1-3-13-4-2-6/h5H,1-4H2,(H2,7,8,9)(H2,10,11,12)

InChIKey

KVUUQMDVROTSNI-UHFFFAOYSA-N

Compound name

[morpholin-4-yl(phosphono)methyl]phosphonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 399
Patents: 261.01672 Da
Monoisotopic Mass: -5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	262.02400	157.6
[M+Na]+	284.00594	160.6
[M-H]-	260.00944	151.9
[M+NH4]+	279.05054	168.9
[M+K]+	299.97988	161.8
[M+H-H2O]+	244.01398	147.7
[M+HCOO]-	306.01492	178.4
[M+CH3COO]-	320.03057	182.8
[M+Na-2H]-	281.99139	159.0
[M]+	261.01617	154.5
[M]-	261.01727	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe