CID 11264068

2-(7-methoxynaphthalen-1-yl)acetonitrile

Structural Information

Molecular Formula
C13H11NO
SMILES
COC1=CC2=C(C=CC=C2CC#N)C=C1
InChI
InChI=1S/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3
InChIKey
PYJMGUQHJINLLD-UHFFFAOYSA-N
Compound name
2-(7-methoxynaphthalen-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

643
Patents

197.08406 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09134 144.3
[M+Na]+ 220.07328 155.8
[M-H]- 196.07678 148.4
[M+NH4]+ 215.11788 163.0
[M+K]+ 236.04722 150.2
[M+H-H2O]+ 180.08132 131.9
[M+HCOO]- 242.08226 164.1
[M+CH3COO]- 256.09791 198.0
[M+Na-2H]- 218.05873 151.4
[M]+ 197.08351 141.2
[M]- 197.08461 141.2
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

patents stripe