CID 4052584

2-(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetonitrile

Structural Information

Molecular Formula
C12H11NO
SMILES
C1CC2=CC=CC=C2C(=O)C1CC#N
InChI
InChI=1S/C12H11NO/c13-8-7-10-6-5-9-3-1-2-4-11(9)12(10)14/h1-4,10H,5-7H2
InChIKey
PAANBDAGTCQLRZ-UHFFFAOYSA-N
Compound name
2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

185.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09134 143.4
[M+Na]+ 208.07328 156.2
[M+NH4]+ 203.11788 149.4
[M+K]+ 224.04722 145.4
[M-H]- 184.07678 139.1
[M+Na-2H]- 206.05873 147.1
[M]+ 185.08351 143.2
[M]- 185.08461 143.2
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

patents stripe