CID 126979831

2-(cyclobutylmethyl)pyrimidin-5-amine

Structural Information

Molecular Formula
C9H13N3
SMILES
C1CC(C1)CC2=NC=C(C=N2)N
InChI
InChI=1S/C9H13N3/c10-8-5-11-9(12-6-8)4-7-2-1-3-7/h5-7H,1-4,10H2
InChIKey
DUCUUQNFHHFLCL-UHFFFAOYSA-N
Compound name
2-(cyclobutylmethyl)pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.11095 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.11823 134.3
[M+Na]+ 186.10017 140.3
[M-H]- 162.10367 137.4
[M+NH4]+ 181.14477 145.3
[M+K]+ 202.07411 140.8
[M+H-H2O]+ 146.10821 120.9
[M+HCOO]- 208.10915 154.9
[M+CH3COO]- 222.12480 183.5
[M+Na-2H]- 184.08562 140.8
[M]+ 163.11040 139.7
[M]- 163.11150 139.7
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

No patent data available for this compound.