CID 77127

Decyl 2-cyanoacrylate

Structural Information

Molecular Formula
C14H23NO2
SMILES
CCCCCCCCCCOC(=O)C(=C)C#N
InChI
InChI=1S/C14H23NO2/c1-3-4-5-6-7-8-9-10-11-17-14(16)13(2)12-15/h2-11H2,1H3
InChIKey
KWKVJEUILVQMRR-UHFFFAOYSA-N
Compound name
decyl 2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

371
Patents

237.17288 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.180156 156.1
[M+Na]+ 260.162098 162.4
[M-H]- 236.165604 155.9
[M+NH4]+ 255.206703 172.2
[M+K]+ 276.136038 160.4
[M+H-H2O]+ 220.170140 143.9
[M+HCOO]- 282.171081 173.3
[M+CH3COO]- 296.186731 206.4
[M+Na-2H]- 258.147546 157.1
[M]+ 237.17233142 155.3
[M]- 237.17342858 155.3
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.