CID 87563835

4-chloro-6-(2-methylpropyl)pyrimidin-2-amine

Structural Information

Molecular Formula
C8H12ClN3
SMILES
CC(C)CC1=CC(=NC(=N1)N)Cl
InChI
InChI=1S/C8H12ClN3/c1-5(2)3-6-4-7(9)12-8(10)11-6/h4-5H,3H2,1-2H3,(H2,10,11,12)
InChIKey
UIRCLEYGFYRYLR-UHFFFAOYSA-N
Compound name
4-chloro-6-(2-methylpropyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

185.07198 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.079256 138.9
[M+Na]+ 208.061198 148.3
[M-H]- 184.064704 139.6
[M+NH4]+ 203.105803 156.8
[M+K]+ 224.035138 144.5
[M+H-H2O]+ 168.069240 132.4
[M+HCOO]- 230.070181 155.9
[M+CH3COO]- 244.085831 184.8
[M+Na-2H]- 206.046646 143.8
[M]+ 185.07143142 139.7
[M]- 185.07252858 139.7
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