CID 60984

Methyl bromoacetate

Structural Information

Molecular Formula
C3H5BrO2
SMILES
COC(=O)CBr
InChI
InChI=1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3
InChIKey
YDCHPLOFQATIDS-UHFFFAOYSA-N
Compound name
methyl 2-bromoacetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

30719
Patents

151.9473 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.95458 120.2
[M+Na]+ 174.93652 132.2
[M-H]- 150.94002 123.8
[M+NH4]+ 169.98112 144.9
[M+K]+ 190.91046 123.7
[M+H-H2O]+ 134.94456 121.5
[M+HCOO]- 196.94550 142.1
[M+CH3COO]- 210.96115 172.7
[M+Na-2H]- 172.92197 128.8
[M]+ 151.94675 140.1
[M]- 151.94785 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe