CID 66292233

4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine

Structural Information

Molecular Formula
C9H10ClIN2O
SMILES
COCC1=C(C(=NC(=N1)C2CC2)Cl)I
InChI
InChI=1S/C9H10ClIN2O/c1-14-4-6-7(11)8(10)13-9(12-6)5-2-3-5/h5H,2-4H2,1H3
InChIKey
BTBKEOKIKDELDI-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.95264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.95992 150.4
[M+Na]+ 346.94186 155.5
[M-H]- 322.94536 148.5
[M+NH4]+ 341.98646 158.5
[M+K]+ 362.91580 156.1
[M+H-H2O]+ 306.94990 139.5
[M+HCOO]- 368.95084 163.7
[M+CH3COO]- 382.96649 198.0
[M+Na-2H]- 344.92731 144.5
[M]+ 323.95209 153.6
[M]- 323.95319 153.6
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.

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No patent data available for this compound.