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 132.8
[M+Na]+ 174.10017 140.9
[M-H]- 150.10367 133.3
[M+NH4]+ 169.14477 151.1
[M+K]+ 190.07411 138.5
[M+H-H2O]+ 134.10821 125.5
[M+HCOO]- 196.10915 155.6
[M+CH3COO]- 210.12480 178.9
[M+Na-2H]- 172.08562 140.3
[M]+ 151.11040 132.1
[M]- 151.11150 132.1
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.