CID 607344

2-(6-methoxynaphthalen-2-yl)propanenitrile

Structural Information

Molecular Formula
C14H13NO
SMILES
CC(C#N)C1=CC2=C(C=C1)C=C(C=C2)OC
InChI
InChI=1S/C14H13NO/c1-10(9-15)11-3-4-13-8-14(16-2)6-5-12(13)7-11/h3-8,10H,1-2H3
InChIKey
QAILMFURFUYAJA-UHFFFAOYSA-N
Compound name
2-(6-methoxynaphthalen-2-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

211.09972 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10700 149.7
[M+Na]+ 234.08894 160.5
[M-H]- 210.09244 153.7
[M+NH4]+ 229.13354 167.8
[M+K]+ 250.06288 155.1
[M+H-H2O]+ 194.09698 137.2
[M+HCOO]- 256.09792 168.2
[M+CH3COO]- 270.11357 201.5
[M+Na-2H]- 232.07439 155.1
[M]+ 211.09917 146.3
[M]- 211.10027 146.3
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