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
1
Annotation Hits

0
References

2068
Patents

239.07938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08666 149.9
[M+Na]+ 262.06860 156.4
[M-H]- 238.07210 151.4
[M+NH4]+ 257.11320 167.8
[M+K]+ 278.04254 156.0
[M+H-H2O]+ 222.07664 144.5
[M+HCOO]- 284.07758 173.6
[M+CH3COO]- 298.09323 194.3
[M+Na-2H]- 260.05405 154.1
[M]+ 239.07883 155.4
[M]- 239.07993 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