CID 440214

Guanidinoethyl methyl phosphate

Structural Information

Molecular Formula

C₄H₁₂N₃O₄P

SMILES

COP(=O)(O)OCCN=C(N)N

InChI

InChI=1S/C4H12N3O4P/c1-10-12(8,9)11-3-2-7-4(5)6/h2-3H2,1H3,(H,8,9)(H4,5,6,7)

InChIKey

PTALSLHNZQRENZ-UHFFFAOYSA-N

Compound name

2-(diaminomethylideneamino)ethyl methyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 197.05655 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]+	198.063826	139.9
[M+Na]+	220.045768	145.2
[M-H]-	196.049274	138.1
[M+NH4]+	215.090373	158.0
[M+K]+	236.019708	146.2
[M+H-H2O]+	180.053810	131.8
[M+HCOO]-	242.054751	169.8
[M+CH3COO]-	256.070401	188.8
[M+Na-2H]-	218.031216	142.7
[M]+	197.05600142	140.3
[M]-	197.05709858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe