CID 68303122

4-butylpyrimidin-2-amine

Structural Information

Molecular Formula
C8H13N3
SMILES
CCCCC1=NC(=NC=C1)N
InChI
InChI=1S/C8H13N3/c1-2-3-4-7-5-6-10-8(9)11-7/h5-6H,2-4H2,1H3,(H2,9,10,11)
InChIKey
KSNSIPKCSJTVKE-UHFFFAOYSA-N
Compound name
4-butylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

151.11095 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.118226 132.8
[M+Na]+ 174.100168 140.9
[M-H]- 150.103674 133.3
[M+NH4]+ 169.144773 151.1
[M+K]+ 190.074108 138.5
[M+H-H2O]+ 134.108210 125.5
[M+HCOO]- 196.109151 155.6
[M+CH3COO]- 210.124801 178.9
[M+Na-2H]- 172.085616 140.3
[M]+ 151.11040142 132.1
[M]- 151.11149858 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

patents stripe