CID 89782748

1394021-83-0

Structural Information

Molecular Formula

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: 3
Patents: 174.96329 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	175.97057	126.8
[M+Na]+	197.95251	140.2
[M-H]-	173.95601	133.0
[M+NH4]+	192.99711	150.2
[M+K]+	213.92645	131.8
[M+H-H2O]+	157.96055	127.4
[M+HCOO]-	219.96149	149.0
[M+CH3COO]-	233.97714	176.1
[M+Na-2H]-	195.93796	136.0
[M]+	174.96274	147.4
[M]-	174.96384	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe