CID 135618156

Brn 0512794

Structural Information

Molecular Formula
C6H10N4O
SMILES
CCNC1=NC(=O)NC(=N1)C
InChI
InChI=1S/C6H10N4O/c1-3-7-5-8-4(2)9-6(11)10-5/h3H2,1-2H3,(H2,7,8,9,10,11)
InChIKey
QGZBIYWLPWSMQC-UHFFFAOYSA-N
Compound name
4-(ethylamino)-6-methyl-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.08546 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.092736 131.8
[M+Na]+ 177.074678 141.5
[M-H]- 153.078184 130.7
[M+NH4]+ 172.119283 148.3
[M+K]+ 193.048618 138.6
[M+H-H2O]+ 137.082720 124.3
[M+HCOO]- 199.083661 153.3
[M+CH3COO]- 213.099311 176.3
[M+Na-2H]- 175.060126 140.0
[M]+ 154.08491142 131.0
[M]- 154.08600858 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.