CID 582354

5,6,7,8-tetrahydronaphthalene-2-carbonitrile

Structural Information

Molecular Formula
C11H11N
SMILES
C1CCC2=C(C1)C=CC(=C2)C#N
InChI
InChI=1S/C11H11N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h5-7H,1-4H2
InChIKey
TWDAXWPAXMGRAF-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydronaphthalene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

157.08914 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09642 137.9
[M+Na]+ 180.07836 151.0
[M+NH4]+ 175.12296 144.9
[M+K]+ 196.05230 139.8
[M-H]- 156.08186 134.3
[M+Na-2H]- 178.06381 142.5
[M]+ 157.08859 138.1
[M]- 157.08969 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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