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]+ 169.05271 132.9
[M+Na]+ 191.03465 143.8
[M-H]- 167.03815 134.8
[M+NH4]+ 186.07925 154.9
[M+K]+ 207.00859 139.7
[M+H-H2O]+ 151.04269 126.6
[M+HCOO]- 213.04363 149.7
[M+CH3COO]- 227.05928 146.8
[M+Na-2H]- 189.02010 139.1
[M]+ 168.04488 134.1
[M]- 168.04598 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