CID 79405962

2-butylpyrimidin-5-amine

Structural Information

Molecular Formula
C8H13N3
SMILES
CCCCC1=NC=C(C=N1)N
InChI
InChI=1S/C8H13N3/c1-2-3-4-8-10-5-7(9)6-11-8/h5-6H,2-4,9H2,1H3
InChIKey
NMBLYFKQOACXAL-UHFFFAOYSA-N
Compound name
2-butylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.11095 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 132.2
[M+Na]+ 174.10017 144.7
[M+NH4]+ 169.14477 140.3
[M+K]+ 190.07411 138.2
[M-H]- 150.10367 134.0
[M+Na-2H]- 172.08562 139.4
[M]+ 151.11040 134.4
[M]- 151.11150 134.4
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.