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

19
Patents

185.07198 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07926 138.9
[M+Na]+ 208.06120 148.3
[M-H]- 184.06470 139.6
[M+NH4]+ 203.10580 156.8
[M+K]+ 224.03514 144.5
[M+H-H2O]+ 168.06924 132.4
[M+HCOO]- 230.07018 155.9
[M+CH3COO]- 244.08583 184.8
[M+Na-2H]- 206.04665 143.8
[M]+ 185.07143 139.7
[M]- 185.07253 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