CID 3014768

2-isocyanatoethyl acrylate

Structural Information

Molecular Formula
C6H7NO3
SMILES
C=CC(=O)OCCN=C=O
InChI
InChI=1S/C6H7NO3/c1-2-6(9)10-4-3-7-5-8/h2H,1,3-4H2
InChIKey
DPNXHTDWGGVXID-UHFFFAOYSA-N
Compound name
2-isocyanatoethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20231
Patents

141.04259 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 128.6
[M+Na]+ 164.03181 137.8
[M+NH4]+ 159.07641 134.9
[M+K]+ 180.00575 133.0
[M-H]- 140.03531 127.2
[M+Na-2H]- 162.01726 131.7
[M]+ 141.04204 129.0
[M]- 141.04314 129.0
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