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

4594
Patents

137.04768 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 127.8
[M+Na]+ 160.03690 136.9
[M-H]- 136.04040 128.8
[M+NH4]+ 155.08150 147.4
[M+K]+ 176.01084 136.1
[M+H-H2O]+ 120.04494 116.8
[M+HCOO]- 182.04588 147.1
[M+CH3COO]- 196.06153 186.6
[M+Na-2H]- 158.02235 131.9
[M]+ 137.04713 123.9
[M]- 137.04823 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