CID 75532041

2-bromo-1-cyclopropyl-1h-imidazole

Structural Information

Molecular Formula
C6H7BrN2
SMILES
C1CC1N2C=CN=C2Br
InChI
InChI=1S/C6H7BrN2/c7-6-8-3-4-9(6)5-1-2-5/h3-5H,1-2H2
InChIKey
VYOKFMUUKWPBAJ-UHFFFAOYSA-N
Compound name
2-bromo-1-cyclopropylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

185.97926 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98654 135.3
[M+Na]+ 208.96848 150.3
[M-H]- 184.97198 143.2
[M+NH4]+ 204.01308 153.5
[M+K]+ 224.94242 139.2
[M+H-H2O]+ 168.97652 134.3
[M+HCOO]- 230.97746 157.2
[M+CH3COO]- 244.99311 151.1
[M+Na-2H]- 206.95393 142.9
[M]+ 185.97871 154.9
[M]- 185.97981 154.9
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

patents stripe