CID 62313063

2-(butan-2-yl)-4-chloro-6-methylpyrimidine

Structural Information

Molecular Formula
C9H13ClN2
SMILES
CCC(C)C1=NC(=CC(=N1)Cl)C
InChI
InChI=1S/C9H13ClN2/c1-4-6(2)9-11-7(3)5-8(10)12-9/h5-6H,4H2,1-3H3
InChIKey
AHLDBLRZNGKNRD-UHFFFAOYSA-N
Compound name
2-butan-2-yl-4-chloro-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07672 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.083996 137.4
[M+Na]+ 207.065938 147.3
[M-H]- 183.069444 138.5
[M+NH4]+ 202.110543 156.1
[M+K]+ 223.039878 143.7
[M+H-H2O]+ 167.073980 131.1
[M+HCOO]- 229.074921 153.7
[M+CH3COO]- 243.090571 183.7
[M+Na-2H]- 205.051386 142.7
[M]+ 184.07617142 140.3
[M]- 184.07726858 140.3
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.