CID 46739895

6-chloro-5-cyclopropylpyrimidin-4-amine

Structural Information

Molecular Formula
C7H8ClN3
SMILES
C1CC1C2=C(N=CN=C2Cl)N
InChI
InChI=1S/C7H8ClN3/c8-6-5(4-1-2-4)7(9)11-3-10-6/h3-4H,1-2H2,(H2,9,10,11)
InChIKey
FXFFIVIQJGJJDP-UHFFFAOYSA-N
Compound name
6-chloro-5-cyclopropylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

169.04068 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.047956 135.5
[M+Na]+ 192.029898 147.1
[M-H]- 168.033404 140.0
[M+NH4]+ 187.074503 149.1
[M+K]+ 208.003838 141.8
[M+H-H2O]+ 152.037940 128.2
[M+HCOO]- 214.038881 154.5
[M+CH3COO]- 228.054531 148.5
[M+Na-2H]- 190.015346 142.2
[M]+ 169.04013142 137.4
[M]- 169.04122858 137.4
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