CID 9548602

Creatine phosphate

Structural Information

Molecular Formula

C₄H₁₀N₃O₅P

SMILES

CN(CC(=O)O)/C(=N/P(=O)(O)O)/N

InChI

InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)

InChIKey

DRBBFCLWYRJSJZ-UHFFFAOYSA-N

Compound name

2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 8833
References: 19782
Patents: 211.03581 Da
Monoisotopic Mass: -2.6
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]+	212.043086	141.8
[M+Na]+	234.025028	146.5
[M-H]-	210.028534	139.4
[M+NH4]+	229.069633	158.7
[M+K]+	249.998968	148.1
[M+H-H2O]+	194.033070	134.0
[M+HCOO]-	256.034011	169.3
[M+CH3COO]-	270.049661	189.5
[M+Na-2H]-	232.010476	142.9
[M]+	211.03526142	140.7
[M]-	211.03635858	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe