CID 137935959

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

Structural Information

Molecular Formula
C7H10BrNO
SMILES
C1CC1C2=NOC(C2)CBr
InChI
InChI=1S/C7H10BrNO/c8-4-6-3-7(9-10-6)5-1-2-5/h5-6H,1-4H2
InChIKey
JVNGVEPLBDGMOA-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-cyclopropyl-4,5-dihydro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.99458 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.00186 139.5
[M+Na]+ 225.98380 153.0
[M-H]- 201.98730 148.8
[M+NH4]+ 221.02840 157.0
[M+K]+ 241.95774 143.5
[M+H-H2O]+ 185.99184 138.8
[M+HCOO]- 247.99278 159.9
[M+CH3COO]- 262.00843 184.0
[M+Na-2H]- 223.96925 146.6
[M]+ 202.99403 159.6
[M]- 202.99513 159.6
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.

Patent stripe

No patent data available for this compound.