CID 154380

4-cyano-1,2,3,4-tetrahydro-1-naphthaleneacetonitrile

Structural Information

Molecular Formula
C14H14N2
SMILES
C1CC(C2=CC=CC=C2C1CCC#N)C#N
InChI
InChI=1S/C14H14N2/c15-9-3-4-11-7-8-12(10-16)14-6-2-1-5-13(11)14/h1-2,5-6,11-12H,3-4,7-8H2
InChIKey
JRUGFHHEKLYFPC-UHFFFAOYSA-N
Compound name
4-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

210.11569 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.122966 158.5
[M+Na]+ 233.104908 168.8
[M-H]- 209.108414 162.2
[M+NH4]+ 228.149513 171.8
[M+K]+ 249.078848 161.5
[M+H-H2O]+ 193.112950 143.9
[M+HCOO]- 255.113891 169.1
[M+CH3COO]- 269.129541 219.2
[M+Na-2H]- 231.090356 160.9
[M]+ 210.11514142 149.4
[M]- 210.11623858 149.4
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

No patent data available for this compound.