CID 135714975

2-(aminomethyl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride

Structural Information

Molecular Formula
C6H9N3O
SMILES
CC1=CC(=O)NC(=N1)CN
InChI
InChI=1S/C6H9N3O/c1-4-2-6(10)9-5(3-7)8-4/h2H,3,7H2,1H3,(H,8,9,10)
InChIKey
NQUHWZJWGWWYGB-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

139.07455 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 127.0
[M+Na]+ 162.063768 136.7
[M-H]- 138.067274 126.9
[M+NH4]+ 157.108373 145.3
[M+K]+ 178.037708 133.7
[M+H-H2O]+ 122.071810 120.4
[M+HCOO]- 184.072751 149.2
[M+CH3COO]- 198.088401 172.7
[M+Na-2H]- 160.049216 134.2
[M]+ 139.07400142 124.7
[M]- 139.07509858 124.7
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

patents stripe