CID 206957

28958-94-3

Structural Information

Molecular Formula

C₅H₉N₃O₂

SMILES

C1CN=C(NC1C(=O)O)N

InChI

InChI=1S/C5H9N3O2/c6-5-7-2-1-3(8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)

InChIKey

WTOIKBZVZXPOIR-UHFFFAOYSA-N

Compound name

2-amino-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 143.06947 Da
Monoisotopic Mass: -1.4
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]+	144.07675	129.4
[M+Na]+	166.05869	135.7
[M-H]-	142.06219	127.0
[M+NH4]+	161.10329	146.1
[M+K]+	182.03263	133.6
[M+H-H2O]+	126.06673	122.8
[M+HCOO]-	188.06767	146.8
[M+CH3COO]-	202.08332	169.8
[M+Na-2H]-	164.04414	134.1
[M]+	143.06892	122.4
[M]-	143.07002	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe