CID 91305

1,2-propanediol diacrylate

Structural Information

Molecular Formula
C9H12O4
SMILES
CC(COC(=O)C=C)OC(=O)C=C
InChI
InChI=1S/C9H12O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h4-5,7H,1-2,6H2,3H3
InChIKey
VFZKVQVQOMDJEG-UHFFFAOYSA-N
Compound name
2-prop-2-enoyloxypropyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18860
Patents

184.07356 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 138.5
[M+Na]+ 207.062778 145.2
[M-H]- 183.066284 138.7
[M+NH4]+ 202.107383 158.3
[M+K]+ 223.036718 145.0
[M+H-H2O]+ 167.070820 133.7
[M+HCOO]- 229.071761 160.3
[M+CH3COO]- 243.087411 181.8
[M+Na-2H]- 205.048226 140.6
[M]+ 184.07301142 142.0
[M]- 184.07410858 142.0
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