CID 43557555

4-tert-butyl-6-chloro-2-(propan-2-yl)pyrimidine

Structural Information

Molecular Formula
C11H17ClN2
SMILES
CC(C)C1=NC(=CC(=N1)Cl)C(C)(C)C
InChI
InChI=1S/C11H17ClN2/c1-7(2)10-13-8(11(3,4)5)6-9(12)14-10/h6-7H,1-5H3
InChIKey
NQFPKUXHCPXSJB-UHFFFAOYSA-N
Compound name
4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.10803 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11531 147.0
[M+Na]+ 235.09725 156.6
[M-H]- 211.10075 148.3
[M+NH4]+ 230.14185 164.8
[M+K]+ 251.07119 152.9
[M+H-H2O]+ 195.10529 141.0
[M+HCOO]- 257.10623 161.1
[M+CH3COO]- 271.12188 189.4
[M+Na-2H]- 233.08270 151.9
[M]+ 212.10748 150.1
[M]- 212.10858 150.1
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