CID 130906511

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

Structural Information

Molecular Formula
C9H11ClN2
SMILES
CC1(CCC2=CN=C(N=C21)Cl)C
InChI
InChI=1S/C9H11ClN2/c1-9(2)4-3-6-5-11-8(10)12-7(6)9/h5H,3-4H2,1-2H3
InChIKey
GIWRABFCMJZROS-UHFFFAOYSA-N
Compound name
2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06108 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.068356 136.1
[M+Na]+ 205.050298 147.6
[M-H]- 181.053804 138.3
[M+NH4]+ 200.094903 159.6
[M+K]+ 221.024238 143.3
[M+H-H2O]+ 165.058340 130.2
[M+HCOO]- 227.059281 152.7
[M+CH3COO]- 241.074931 150.2
[M+Na-2H]- 203.035746 142.9
[M]+ 182.06053142 137.9
[M]- 182.06162858 137.9
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

No patent data available for this compound.