CID 80953209

2-tert-butyl-6-chloropyrimidin-4-amine

Structural Information

Molecular Formula
C8H12ClN3
SMILES
CC(C)(C)C1=NC(=CC(=N1)Cl)N
InChI
InChI=1S/C8H12ClN3/c1-8(2,3)7-11-5(9)4-6(10)12-7/h4H,1-3H3,(H2,10,11,12)
InChIKey
JQWWSYDTJRDYLT-UHFFFAOYSA-N
Compound name
2-tert-butyl-6-chloropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

185.07198 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.079256 140.2
[M+Na]+ 208.061198 150.4
[M-H]- 184.064704 141.2
[M+NH4]+ 203.105803 158.4
[M+K]+ 224.035138 146.5
[M+H-H2O]+ 168.069240 134.2
[M+HCOO]- 230.070181 156.6
[M+CH3COO]- 244.085831 183.6
[M+Na-2H]- 206.046646 146.9
[M]+ 185.07143142 141.0
[M]- 185.07252858 141.0
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