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
1
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]+ 247.07317 151.3
[M+Na]+ 269.05511 157.6
[M-H]- 245.05861 151.5
[M+NH4]+ 264.09971 169.4
[M+K]+ 285.02905 155.7
[M+H-H2O]+ 229.06315 147.6
[M+HCOO]- 291.06409 166.2
[M+CH3COO]- 305.07974 193.4
[M+Na-2H]- 267.04056 149.8
[M]+ 246.06534 156.3
[M]- 246.06644 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