CID 89782748

1394021-83-0

Structural Information

Molecular Formula
C5H6BrNO
SMILES
CC1=CN=C(O1)CBr
InChI
InChI=1S/C5H6BrNO/c1-4-3-7-5(2-6)8-4/h3H,2H2,1H3
InChIKey
ZPMZAPAEAITURL-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

174.96329 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.970566 126.8
[M+Na]+ 197.952508 140.2
[M-H]- 173.956014 133.0
[M+NH4]+ 192.997113 150.2
[M+K]+ 213.926448 131.8
[M+H-H2O]+ 157.960550 127.4
[M+HCOO]- 219.961491 149.0
[M+CH3COO]- 233.977141 176.1
[M+Na-2H]- 195.937956 136.0
[M]+ 174.96274142 147.4
[M]- 174.96383858 147.4
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