CID 134440371

4-(2-cyanopropanoyl)cubane-1-carbonitrile

Structural Information

Molecular Formula
C13H10N2O
SMILES
CC(C#N)C(=O)C12C3C4C1C5C2C3C45C#N
InChI
InChI=1S/C13H10N2O/c1-4(2-14)11(16)13-8-5-9(13)7-10(13)6(8)12(5,7)3-15/h4-10H,1H3
InChIKey
UREVHMRGRXAASF-UHFFFAOYSA-N
Compound name
4-(2-cyanopropanoyl)cubane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

210.07932 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08660 204.1
[M+Na]+ 233.06854 201.4
[M+NH4]+ 228.11314 200.9
[M+K]+ 249.04248 198.4
[M-H]- 209.07204 198.9
[M+Na-2H]- 231.05399 198.1
[M]+ 210.07877 200.9
[M]- 210.07987 200.9
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