CID 59739541

4-(bromomethyl)-5-cyclopropyl-3-methyl-1,2-oxazole

Structural Information

Molecular Formula
C8H10BrNO
SMILES
CC1=NOC(=C1CBr)C2CC2
InChI
InChI=1S/C8H10BrNO/c1-5-7(4-9)8(11-10-5)6-2-3-6/h6H,2-4H2,1H3
InChIKey
PDPNJUCAENRVGW-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-5-cyclopropyl-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

214.99458 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00186 135.2
[M+Na]+ 237.98380 140.2
[M+NH4]+ 233.02840 141.0
[M+K]+ 253.95774 143.0
[M-H]- 213.98730 143.2
[M+Na-2H]- 235.96925 140.9
[M]+ 214.99403 138.1
[M]- 214.99513 138.1
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