CID 81757

Allyl 2-cyanoacrylate

Structural Information

Molecular Formula
C7H7NO2
SMILES
C=CCOC(=O)C(=C)C#N
InChI
InChI=1S/C7H7NO2/c1-3-4-10-7(9)6(2)5-8/h3H,1-2,4H2
InChIKey
ITCZEZQMUWEPQP-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4587
Patents

137.04768 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.054956 127.8
[M+Na]+ 160.036898 136.9
[M-H]- 136.040404 128.8
[M+NH4]+ 155.081503 147.4
[M+K]+ 176.010838 136.1
[M+H-H2O]+ 120.044940 116.8
[M+HCOO]- 182.045881 147.1
[M+CH3COO]- 196.061531 186.6
[M+Na-2H]- 158.022346 131.9
[M]+ 137.04713142 123.9
[M]- 137.04822858 123.9
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