CID 7127183

903131-37-3

Structural Information

Molecular Formula
C4H4BrNO
SMILES
CC1=CON=C1Br
InChI
InChI=1S/C4H4BrNO/c1-3-2-7-6-4(3)5/h2H,1H3
InChIKey
NCCIVJBTDIVSCD-UHFFFAOYSA-N
Compound name
3-bromo-4-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

160.94763 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.95491 122.1
[M+Na]+ 183.93685 135.9
[M-H]- 159.94035 128.4
[M+NH4]+ 178.98145 146.0
[M+K]+ 199.91079 127.7
[M+H-H2O]+ 143.94489 122.9
[M+HCOO]- 205.94583 144.6
[M+CH3COO]- 219.96148 173.3
[M+Na-2H]- 181.92230 131.8
[M]+ 160.94708 142.3
[M]- 160.94818 142.3
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