CID 173208

Fr 900137

Structural Information

Molecular Formula

C₈H₂₀N₃O₄P

SMILES

CC(C)C[C@@H](C(=O)NN(C)P(=O)(O)OC)N

InChI

InChI=1S/C8H20N3O4P/c1-6(2)5-7(9)8(12)10-11(3)16(13,14)15-4/h6-7H,5,9H2,1-4H3,(H,10,12)(H,13,14)/t7-/m0/s1

InChIKey

JGZNDHCOJBAROW-ZETCQYMHSA-N

Compound name

N-[[(2S)-2-amino-4-methylpentanoyl]amino]-methoxy-N-methylphosphonamidic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 253.11914 Da
Monoisotopic Mass: -2.8
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]+	254.12642	159.5
[M+Na]+	276.10836	162.1
[M+NH4]+	271.15296	162.5
[M+K]+	292.08230	162.6
[M-H]-	252.11186	155.8
[M+Na-2H]-	274.09381	157.8
[M]+	253.11859	157.9
[M]-	253.11969	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe