CID 45788056

4-bromo-6-cyclopropylpyrimidine

Structural Information

Molecular Formula
C7H7BrN2
SMILES
C1CC1C2=CC(=NC=N2)Br
InChI
InChI=1S/C7H7BrN2/c8-7-3-6(5-1-2-5)9-4-10-7/h3-5H,1-2H2
InChIKey
LBXBWLSNKFROFV-UHFFFAOYSA-N
Compound name
4-bromo-6-cyclopropylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

197.97926 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.98654 137.4
[M+Na]+ 220.96848 151.7
[M-H]- 196.97198 145.1
[M+NH4]+ 216.01308 153.5
[M+K]+ 236.94242 140.4
[M+H-H2O]+ 180.97652 136.0
[M+HCOO]- 242.97746 158.5
[M+CH3COO]- 256.99311 152.6
[M+Na-2H]- 218.95393 146.9
[M]+ 197.97871 156.7
[M]- 197.97981 156.7
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