CID 93634

3-chloro-1,2-propanediol dimethacrylate

Structural Information

Molecular Formula
C11H15ClO4
SMILES
CC(=C)C(=O)OCC(CCl)OC(=O)C(=C)C
InChI
InChI=1S/C11H15ClO4/c1-7(2)10(13)15-6-9(5-12)16-11(14)8(3)4/h9H,1,3,5-6H2,2,4H3
InChIKey
QGDHNMDUMGMVAO-UHFFFAOYSA-N
Compound name
[3-chloro-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

246.06589 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.073166 151.3
[M+Na]+ 269.055108 157.6
[M-H]- 245.058614 151.5
[M+NH4]+ 264.099713 169.4
[M+K]+ 285.029048 155.7
[M+H-H2O]+ 229.063150 147.6
[M+HCOO]- 291.064091 166.2
[M+CH3COO]- 305.079741 193.4
[M+Na-2H]- 267.040556 149.8
[M]+ 246.06534142 156.3
[M]- 246.06643858 156.3
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