CID 521906

2-methylpropyl 2-bromoacetate

Structural Information

Molecular Formula
C6H11BrO2
SMILES
CC(C)COC(=O)CBr
InChI
InChI=1S/C6H11BrO2/c1-5(2)4-9-6(8)3-7/h5H,3-4H2,1-2H3
InChIKey
UOUQDZFAJUNYQQ-UHFFFAOYSA-N
Compound name
2-methylpropyl 2-bromoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

193.99425 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.001526 134.9
[M+Na]+ 216.983468 145.4
[M-H]- 192.986974 138.0
[M+NH4]+ 212.028073 157.9
[M+K]+ 232.957408 136.5
[M+H-H2O]+ 176.991510 135.6
[M+HCOO]- 238.992451 154.9
[M+CH3COO]- 253.008101 181.9
[M+Na-2H]- 214.968916 140.6
[M]+ 193.99370142 155.2
[M]- 193.99479858 155.2
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