CID 23117272

1,1-bis(acryloyloxymethyl)ethyl isocyanate

Structural Information

Molecular Formula
C11H13NO5
SMILES
CC(COC(=O)C=C)(COC(=O)C=C)N=C=O
InChI
InChI=1S/C11H13NO5/c1-4-9(14)16-6-11(3,12-8-13)7-17-10(15)5-2/h4-5H,1-2,6-7H2,3H3
InChIKey
QASBHTCRFDZQAM-UHFFFAOYSA-N
Compound name
(2-isocyanato-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1410
Patents

239.07938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.086656 149.9
[M+Na]+ 262.068598 156.4
[M-H]- 238.072104 151.4
[M+NH4]+ 257.113203 167.8
[M+K]+ 278.042538 156.0
[M+H-H2O]+ 222.076640 144.5
[M+HCOO]- 284.077581 173.6
[M+CH3COO]- 298.093231 194.3
[M+Na-2H]- 260.054046 154.1
[M]+ 239.07883142 155.4
[M]- 239.07992858 155.4
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