CID 75520

6-amino-1-methyluracil

Structural Information

Molecular Formula
C5H7N3O2
SMILES
CN1C(=CC(=O)NC1=O)N
InChI
InChI=1S/C5H7N3O2/c1-8-3(6)2-4(9)7-5(8)10/h2H,6H2,1H3,(H,7,9,10)
InChIKey
GZLZRPNUDBIQBM-UHFFFAOYSA-N
Compound name
6-amino-1-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

501
Patents

141.05383 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.061106 124.6
[M+Na]+ 164.043048 135.9
[M-H]- 140.046554 125.1
[M+NH4]+ 159.087653 143.0
[M+K]+ 180.016988 133.0
[M+H-H2O]+ 124.051090 118.3
[M+HCOO]- 186.052031 147.6
[M+CH3COO]- 200.067681 172.3
[M+Na-2H]- 162.028496 131.5
[M]+ 141.05328142 123.1
[M]- 141.05437858 123.1
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