CID 155970488

4-(1-chlorocyclopropyl)pyrimidin-2-amine

Structural Information

Molecular Formula
C7H8ClN3
SMILES
C1CC1(C2=NC(=NC=C2)N)Cl
InChI
InChI=1S/C7H8ClN3/c8-7(2-3-7)5-1-4-10-6(9)11-5/h1,4H,2-3H2,(H2,9,10,11)
InChIKey
FVPAAVGJNBSYSR-UHFFFAOYSA-N
Compound name
4-(1-chlorocyclopropyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.04068 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04796 135.3
[M+Na]+ 192.02990 146.7
[M-H]- 168.03340 139.9
[M+NH4]+ 187.07450 150.5
[M+K]+ 208.00384 142.5
[M+H-H2O]+ 152.03794 128.8
[M+HCOO]- 214.03888 154.1
[M+CH3COO]- 228.05453 148.4
[M+Na-2H]- 190.01535 143.7
[M]+ 169.04013 137.2
[M]- 169.04123 137.2
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

No patent data available for this compound.