CID 13444

(dimethylamino)(1-naphthyl)acetonitrile

Structural Information

Molecular Formula
C14H14N2
SMILES
CN(C)C(C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H14N2/c1-16(2)14(10-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,1-2H3
InChIKey
IQENPHLYJGUASO-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-2-naphthalen-1-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11569 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12297 152.3
[M+Na]+ 233.10491 161.4
[M-H]- 209.10841 156.9
[M+NH4]+ 228.14951 170.2
[M+K]+ 249.07885 156.7
[M+H-H2O]+ 193.11295 139.0
[M+HCOO]- 255.11389 171.8
[M+CH3COO]- 269.12954 206.1
[M+Na-2H]- 231.09036 157.6
[M]+ 210.11514 147.6
[M]- 210.11624 147.6
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.