CID 68743048

1084331-40-7

Structural Information

Molecular Formula

C₇H₇N₃O₃

SMILES

C1=CN=C(N=C1)C(=O)NCC(=O)O

InChI

InChI=1S/C7H7N3O3/c11-5(12)4-10-7(13)6-8-2-1-3-9-6/h1-3H,4H2,(H,10,13)(H,11,12)

InChIKey

KKZRNNLCGJAXLA-UHFFFAOYSA-N

Compound name

2-(pyrimidine-2-carbonylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 181.04874 Da
Monoisotopic Mass: -0.6
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]+	182.05602	135.6
[M+Na]+	204.03796	142.5
[M-H]-	180.04146	135.3
[M+NH4]+	199.08256	151.4
[M+K]+	220.01190	141.1
[M+H-H2O]+	164.04600	128.0
[M+HCOO]-	226.04694	156.8
[M+CH3COO]-	240.06259	178.5
[M+Na-2H]-	202.02341	142.4
[M]+	181.04819	134.6
[M]-	181.04929	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe