CID 55255055

2034154-05-5

Structural Information

Molecular Formula

C₈H₁₁N₃O₂

SMILES

C1CC1N2C=C(C(=O)NC2=O)CN

InChI

InChI=1S/C8H11N3O2/c9-3-5-4-11(6-1-2-6)8(13)10-7(5)12/h4,6H,1-3,9H2,(H,10,12,13)

InChIKey

AKZUACUBZLGGFH-UHFFFAOYSA-N

Compound name

5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.08513 Da
Monoisotopic Mass: -0.8
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]+	182.09241	141.7
[M+Na]+	204.07435	153.4
[M-H]-	180.07785	145.7
[M+NH4]+	199.11895	153.6
[M+K]+	220.04829	147.8
[M+H-H2O]+	164.08239	134.3
[M+HCOO]-	226.08333	164.1
[M+CH3COO]-	240.09898	183.3
[M+Na-2H]-	202.05980	146.9
[M]+	181.08458	142.4
[M]-	181.08568	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe