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]+ 204.001856 139.5
[M+Na]+ 225.983798 153.0
[M-H]- 201.987304 148.8
[M+NH4]+ 221.028403 157.0
[M+K]+ 241.957738 143.5
[M+H-H2O]+ 185.991840 138.8
[M+HCOO]- 247.992781 159.9
[M+CH3COO]- 262.008431 184.0
[M+Na-2H]- 223.969246 146.6
[M]+ 202.99403142 159.6
[M]- 202.99512858 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.