CID 62313785

2-(butan-2-yl)pyrimidin-5-amine

Structural Information

Molecular Formula
C8H13N3
SMILES
CCC(C)C1=NC=C(C=N1)N
InChI
InChI=1S/C8H13N3/c1-3-6(2)8-10-4-7(9)5-11-8/h4-6H,3,9H2,1-2H3
InChIKey
NASHMKOVTHJATO-UHFFFAOYSA-N
Compound name
2-butan-2-ylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.11095 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 133.3
[M+Na]+ 174.10017 141.1
[M-H]- 150.10367 134.0
[M+NH4]+ 169.14477 151.6
[M+K]+ 190.07411 139.2
[M+H-H2O]+ 134.10821 126.1
[M+HCOO]- 196.10915 155.1
[M+CH3COO]- 210.12480 179.8
[M+Na-2H]- 172.08562 139.6
[M]+ 151.11040 131.9
[M]- 151.11150 131.9
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.