CID 165649452

Methyl 5-(3-bromopropyl)-1,2-oxazole-3-carboxylate

Structural Information

Molecular Formula
C8H10BrNO3
SMILES
COC(=O)C1=NOC(=C1)CCCBr
InChI
InChI=1S/C8H10BrNO3/c1-12-8(11)7-5-6(13-10-7)3-2-4-9/h5H,2-4H2,1H3
InChIKey
CCVUEZBOZJKWLD-UHFFFAOYSA-N
Compound name
methyl 5-(3-bromopropyl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.9844 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.99168 145.6
[M+Na]+ 269.97362 157.5
[M-H]- 245.97712 151.3
[M+NH4]+ 265.01822 165.9
[M+K]+ 285.94756 149.0
[M+H-H2O]+ 229.98166 145.2
[M+HCOO]- 291.98260 166.4
[M+CH3COO]- 305.99825 187.6
[M+Na-2H]- 267.95907 151.9
[M]+ 246.98385 168.5
[M]- 246.98495 168.5
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.