CID 206959

28958-95-4

Structural Information

Molecular Formula

C₆H₁₁N₃O₂

SMILES

COC(=O)C1CCN=C(N1)N

InChI

InChI=1S/C6H11N3O2/c1-11-5(10)4-2-3-8-6(7)9-4/h4H,2-3H2,1H3,(H3,7,8,9)

InChIKey

UQRQRPSMJUJRQM-UHFFFAOYSA-N

Compound name

methyl 2-amino-1,4,5,6-tetrahydropyrimidine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 157.08513 Da
Monoisotopic Mass: -1.0
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]+	158.09241	133.4
[M+Na]+	180.07435	139.8
[M-H]-	156.07785	132.3
[M+NH4]+	175.11895	150.4
[M+K]+	196.04829	138.4
[M+H-H2O]+	140.08239	126.4
[M+HCOO]-	202.08333	152.0
[M+CH3COO]-	216.09898	174.5
[M+Na-2H]-	178.05980	138.1
[M]+	157.08458	128.6
[M]-	157.08568	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe