CID 21216989

2-[(2-bromo-2-methylpropanoyl)oxy]ethyl acrylate

Structural Information

Molecular Formula
C9H13BrO4
SMILES
CC(C)(C(=O)OCCOC(=O)C=C)Br
InChI
InChI=1S/C9H13BrO4/c1-4-7(11)13-5-6-14-8(12)9(2,3)10/h4H,1,5-6H2,2-3H3
InChIKey
QTJPDGNUTQHUOO-UHFFFAOYSA-N
Compound name
2-prop-2-enoyloxyethyl 2-bromo-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

263.99973 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.00701 149.9
[M+Na]+ 286.98895 160.1
[M-H]- 262.99245 152.8
[M+NH4]+ 282.03355 170.2
[M+K]+ 302.96289 150.5
[M+H-H2O]+ 246.99699 150.4
[M+HCOO]- 308.99793 168.4
[M+CH3COO]- 323.01358 191.9
[M+Na-2H]- 284.97440 155.0
[M]+ 263.99918 172.1
[M]- 264.00028 172.1
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