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

7
Patents

169.04068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.047956 132.7
[M+Na]+ 192.029898 143.1
[M-H]- 168.033404 134.2
[M+NH4]+ 187.074503 154.0
[M+K]+ 208.003838 138.8
[M+H-H2O]+ 152.037940 126.3
[M+HCOO]- 214.038881 150.2
[M+CH3COO]- 228.054531 146.2
[M+Na-2H]- 190.015346 138.9
[M]+ 169.04013142 131.9
[M]- 169.04122858 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