CID 79863309

1512101-43-7

Structural Information

Molecular Formula
C9H10Cl2N2
SMILES
CC1(CCC2=C1N=C(N=C2Cl)Cl)C
InChI
InChI=1S/C9H10Cl2N2/c1-9(2)4-3-5-6(9)12-8(11)13-7(5)10/h3-4H2,1-2H3
InChIKey
SNZVRPRZSBMBGV-UHFFFAOYSA-N
Compound name
2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

216.02211 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02939 142.0
[M+Na]+ 239.01133 154.4
[M-H]- 215.01483 143.6
[M+NH4]+ 234.05593 164.5
[M+K]+ 254.98527 148.9
[M+H-H2O]+ 199.01937 136.6
[M+HCOO]- 261.02031 153.2
[M+CH3COO]- 275.03596 155.3
[M+Na-2H]- 236.99678 147.1
[M]+ 216.02156 144.8
[M]- 216.02266 144.8
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