CID 9815689

2-octyl cyanoacrylate

Structural Information

Molecular Formula
C12H19NO2
SMILES
CCCCCCC(C)OC(=O)C(=C)C#N
InChI
InChI=1S/C12H19NO2/c1-4-5-6-7-8-11(3)15-12(14)10(2)9-13/h11H,2,4-8H2,1,3H3
InChIKey
CQVWXNBVRLKXPE-UHFFFAOYSA-N
Compound name
octan-2-yl 2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

399
References

5500
Patents

209.14159 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 149.3
[M+Na]+ 232.13081 156.1
[M-H]- 208.13431 149.5
[M+NH4]+ 227.17541 166.3
[M+K]+ 248.10475 155.1
[M+H-H2O]+ 192.13885 137.5
[M+HCOO]- 254.13979 166.1
[M+CH3COO]- 268.15544 201.8
[M+Na-2H]- 230.11626 150.0
[M]+ 209.14104 147.2
[M]- 209.14214 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.