CID 351135

4-chloro-2-methyl-5h,6h,7h-cyclopenta[d]pyrimidine

Structural Information

Molecular Formula
C8H9ClN2
SMILES
CC1=NC2=C(CCC2)C(=N1)Cl
InChI
InChI=1S/C8H9ClN2/c1-5-10-7-4-2-3-6(7)8(9)11-5/h2-4H2,1H3
InChIKey
LAXXXFLVHDQNLA-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

168.04543 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.052706 132.9
[M+Na]+ 191.034648 143.8
[M-H]- 167.038154 134.8
[M+NH4]+ 186.079253 154.9
[M+K]+ 207.008588 139.7
[M+H-H2O]+ 151.042690 126.6
[M+HCOO]- 213.043631 149.7
[M+CH3COO]- 227.059281 146.8
[M+Na-2H]- 189.020096 139.1
[M]+ 168.04488142 134.1
[M]- 168.04597858 134.1
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