CID 10241226

76780-97-7

Structural Information

Molecular Formula
C7H8ClN3
SMILES
C1CC2=C(C1)N=C(N=C2N)Cl
InChI
InChI=1S/C7H8ClN3/c8-7-10-5-3-1-2-4(5)6(9)11-7/h1-3H2,(H2,9,10,11)
InChIKey
FLSZZRQYAPQBEO-UHFFFAOYSA-N
Compound name
2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

169.04068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04796 132.7
[M+Na]+ 192.02990 143.1
[M-H]- 168.03340 134.2
[M+NH4]+ 187.07450 154.0
[M+K]+ 208.00384 138.8
[M+H-H2O]+ 152.03794 126.3
[M+HCOO]- 214.03888 150.2
[M+CH3COO]- 228.05453 146.2
[M+Na-2H]- 190.01535 138.9
[M]+ 169.04013 131.9
[M]- 169.04123 131.9
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