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

21220
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 125.4
[M+Na]+ 164.03181 133.2
[M-H]- 140.03531 127.3
[M+NH4]+ 159.07641 147.3
[M+K]+ 180.00575 133.3
[M+H-H2O]+ 124.03985 120.3
[M+HCOO]- 186.04079 152.3
[M+CH3COO]- 200.05644 176.4
[M+Na-2H]- 162.01726 132.2
[M]+ 141.04204 128.6
[M]- 141.04314 128.6
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