CID 35409

2-isocyanatoethyl methacrylate

Structural Information

Molecular Formula
C7H9NO3
SMILES
CC(=C)C(=O)OCCN=C=O
InChI
InChI=1S/C7H9NO3/c1-6(2)7(10)11-4-3-8-5-9/h1,3-4H2,2H3
InChIKey
RBQRWNWVPQDTJJ-UHFFFAOYSA-N
Compound name
2-isocyanatoethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

21
References

42030
Patents

155.05824 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 130.4
[M+Na]+ 178.04746 137.6
[M-H]- 154.05096 132.2
[M+NH4]+ 173.09206 151.8
[M+K]+ 194.02140 137.9
[M+H-H2O]+ 138.05550 125.2
[M+HCOO]- 200.05644 156.0
[M+CH3COO]- 214.07209 180.3
[M+Na-2H]- 176.03291 135.4
[M]+ 155.05769 133.3
[M]- 155.05879 133.3
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