CID 84936

Bis(2-isocyanatoethyl)-4-cyclohexene-1,2-dicarboxylate

Structural Information

Molecular Formula
C14H16N2O6
SMILES
C1CCC(=C(C1)C(=O)OCCC#[N+][O-])C(=O)OCCC#[N+][O-]
InChI
InChI=1S/C14H16N2O6/c17-13(21-9-3-7-15-19)11-5-1-2-6-12(11)14(18)22-10-4-8-16-20/h1-6,9-10H2
InChIKey
WXRKRFDRDWCLPW-UHFFFAOYSA-N
Compound name
bis(2-oxycyanoethyl) cyclohexene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

824
Patents

308.10083 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10811 162.5
[M+Na]+ 331.09005 165.8
[M+NH4]+ 326.13465 167.3
[M+K]+ 347.06399 171.0
[M-H]- 307.09355 159.6
[M+Na-2H]- 329.07550 161.0
[M]+ 308.10028 163.2
[M]- 308.10138 163.2
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

patents stripe