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]+ 213.115306 147.0
[M+Na]+ 235.097248 156.6
[M-H]- 211.100754 148.3
[M+NH4]+ 230.141853 164.8
[M+K]+ 251.071188 152.9
[M+H-H2O]+ 195.105290 141.0
[M+HCOO]- 257.106231 161.1
[M+CH3COO]- 271.121881 189.4
[M+Na-2H]- 233.082696 151.9
[M]+ 212.10748142 150.1
[M]- 212.10857858 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