CID 12009

1-methyluracil

Structural Information

Molecular Formula

C₅H₆N₂O₂

SMILES

CN1C=CC(=O)NC1=O

InChI

InChI=1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)

InChIKey

XBCXJKGHPABGSD-UHFFFAOYSA-N

Compound name

1-methylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 51
References: 2495
Patents: 126.04293 Da
Monoisotopic Mass: -1.2
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]+	127.05021	121.0
[M+Na]+	149.03215	134.7
[M+NH4]+	144.07675	128.1
[M+K]+	165.00609	129.5
[M-H]-	125.03565	120.9
[M+Na-2H]-	147.01760	127.6
[M]+	126.04238	122.7
[M]-	126.04348	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe