CID 11287102

861960-34-1

Structural Information

Molecular Formula
C13H13NO
SMILES
COC1=CC2=C(CCC=C2CC#N)C=C1
InChI
InChI=1S/C13H13NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h4-6,9H,2-3,7H2,1H3
InChIKey
MGJHVZKRAOYORH-UHFFFAOYSA-N
Compound name
2-(7-methoxy-3,4-dihydronaphthalen-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

199.09972 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 146.3
[M+Na]+ 222.08894 159.7
[M+NH4]+ 217.13354 152.5
[M+K]+ 238.06288 148.6
[M-H]- 198.09244 142.4
[M+Na-2H]- 220.07439 150.7
[M]+ 199.09917 146.4
[M]- 199.10027 146.4
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

patents stripe