CID 134440371

2167832-71-3

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 177.5
[M+Na]+ 233.06854 178.3
[M-H]- 209.07204 180.9
[M+NH4]+ 228.11314 175.1
[M+K]+ 249.04248 183.5
[M+H-H2O]+ 193.07658 167.1
[M+HCOO]- 255.07752 177.9
[M+CH3COO]- 269.09317 261.3
[M+Na-2H]- 231.05399 173.8
[M]+ 210.07877 188.0
[M]- 210.07987 188.0
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