CID 10986305

5-formylcytosine

Structural Information

Molecular Formula

C₅H₅N₃O₂

SMILES

C1=NC(=O)NC(=C1C=O)N

InChI

InChI=1S/C5H5N3O2/c6-4-3(2-9)1-7-5(10)8-4/h1-2H,(H3,6,7,8,10)

InChIKey

FHSISDGOVSHJRW-UHFFFAOYSA-N

Compound name

6-amino-2-oxo-1H-pyrimidine-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 180
References: 3550
Patents: 139.03818 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]+	140.045456	124.1
[M+Na]+	162.027398	134.4
[M-H]-	138.030904	124.2
[M+NH4]+	157.072003	142.2
[M+K]+	178.001338	131.6
[M+H-H2O]+	122.035440	117.5
[M+HCOO]-	184.036381	147.1
[M+CH3COO]-	198.052031	170.9
[M+Na-2H]-	160.012846	131.8
[M]+	139.03763142	122.2
[M]-	139.03872858	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe