CID 154379

4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile

Structural Information

Molecular Formula
C14H14N2
SMILES
CC(C#N)C1CCC(C2=CC=CC=C12)C#N
InChI
InChI=1S/C14H14N2/c1-10(8-15)12-7-6-11(9-16)13-4-2-3-5-14(12)13/h2-5,10-12H,6-7H2,1H3
InChIKey
FDTQTOKRWQJRAC-UHFFFAOYSA-N
Compound name
4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

20
Patents

210.11569 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12297 160.4
[M+Na]+ 233.10491 170.4
[M-H]- 209.10841 164.0
[M+NH4]+ 228.14951 173.6
[M+K]+ 249.07885 163.4
[M+H-H2O]+ 193.11295 145.7
[M+HCOO]- 255.11389 170.2
[M+CH3COO]- 269.12954 219.8
[M+Na-2H]- 231.09036 161.8
[M]+ 210.11514 150.8
[M]- 210.11624 150.8
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.