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
1
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]+ 211.12297 158.5
[M+Na]+ 233.10491 168.8
[M-H]- 209.10841 162.2
[M+NH4]+ 228.14951 171.8
[M+K]+ 249.07885 161.5
[M+H-H2O]+ 193.11295 143.9
[M+HCOO]- 255.11389 169.1
[M+CH3COO]- 269.12954 219.2
[M+Na-2H]- 231.09036 160.9
[M]+ 210.11514 149.4
[M]- 210.11624 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.