CID 121205679

4-bromo-6-(cyclopropylmethyl)pyrimidine

Structural Information

Molecular Formula
C8H9BrN2
SMILES
C1CC1CC2=CC(=NC=N2)Br
InChI
InChI=1S/C8H9BrN2/c9-8-4-7(10-5-11-8)3-6-1-2-6/h4-6H,1-3H2
InChIKey
RPUDPZJNLBKIDG-UHFFFAOYSA-N
Compound name
4-bromo-6-(cyclopropylmethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.9949 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00218 141.6
[M+Na]+ 234.98412 155.5
[M-H]- 210.98762 149.2
[M+NH4]+ 230.02872 157.2
[M+K]+ 250.95806 144.0
[M+H-H2O]+ 194.99216 140.1
[M+HCOO]- 256.99310 162.4
[M+CH3COO]- 271.00875 156.4
[M+Na-2H]- 232.96957 150.6
[M]+ 211.99435 161.2
[M]- 211.99545 161.2
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.