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]+ 185.08400 137.4
[M+Na]+ 207.06594 147.3
[M-H]- 183.06944 138.5
[M+NH4]+ 202.11054 156.1
[M+K]+ 223.03988 143.7
[M+H-H2O]+ 167.07398 131.1
[M+HCOO]- 229.07492 153.7
[M+CH3COO]- 243.09057 183.7
[M+Na-2H]- 205.05139 142.7
[M]+ 184.07617 140.3
[M]- 184.07727 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.