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

0
Patents

185.07198 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07926 140.2
[M+Na]+ 208.06120 150.4
[M-H]- 184.06470 141.2
[M+NH4]+ 203.10580 158.4
[M+K]+ 224.03514 146.5
[M+H-H2O]+ 168.06924 134.2
[M+HCOO]- 230.07018 156.6
[M+CH3COO]- 244.08583 183.6
[M+Na-2H]- 206.04665 146.9
[M]+ 185.07143 141.0
[M]- 185.07253 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