CID 136240442

2060033-39-6

Structural Information

Molecular Formula
C9H13N3O
SMILES
C1CC(C1)C2=NC(=CC(=O)N2)CN
InChI
InChI=1S/C9H13N3O/c10-5-7-4-8(13)12-9(11-7)6-2-1-3-6/h4,6H,1-3,5,10H2,(H,11,12,13)
InChIKey
CYVHDBGXINFZOG-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2-cyclobutyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 138.9
[M+Na]+ 202.09509 145.4
[M-H]- 178.09859 141.0
[M+NH4]+ 197.13969 148.7
[M+K]+ 218.06903 145.0
[M+H-H2O]+ 162.10313 125.7
[M+HCOO]- 224.10407 158.2
[M+CH3COO]- 238.11972 183.4
[M+Na-2H]- 200.08054 143.9
[M]+ 179.10532 143.5
[M]- 179.10642 143.5
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.