CID 99309

N4-acetylcytosine

Structural Information

Molecular Formula
C6H7N3O2
SMILES
CC(=O)NC1=CC=NC(=O)N1
InChI
InChI=1S/C6H7N3O2/c1-4(10)8-5-2-3-7-6(11)9-5/h2-3H,1H3,(H2,7,8,9,10,11)
InChIKey
IJCKBIINTQEGLY-UHFFFAOYSA-N
Compound name
N-(2-oxo-1H-pyrimidin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

4485
Patents

153.05383 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.061106 128.6
[M+Na]+ 176.043048 137.4
[M-H]- 152.046554 128.8
[M+NH4]+ 171.087653 146.1
[M+K]+ 192.016988 135.1
[M+H-H2O]+ 136.051090 121.7
[M+HCOO]- 198.052031 151.0
[M+CH3COO]- 212.067681 173.6
[M+Na-2H]- 174.028496 136.4
[M]+ 153.05328142 127.0
[M]- 153.05437858 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe