CID 16567641

4-(2,3-dihydro-1h-indol-1-ylmethyl)benzonitrile

Structural Information

Molecular Formula
C16H14N2
SMILES
C1CN(C2=CC=CC=C21)CC3=CC=C(C=C3)C#N
InChI
InChI=1S/C16H14N2/c17-11-13-5-7-14(8-6-13)12-18-10-9-15-3-1-2-4-16(15)18/h1-8H,9-10,12H2
InChIKey
YVXHIPNBXNGHNZ-UHFFFAOYSA-N
Compound name
4-(2,3-dihydroindol-1-ylmethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11569 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12297 156.6
[M+Na]+ 257.10491 167.4
[M-H]- 233.10841 161.0
[M+NH4]+ 252.14951 173.6
[M+K]+ 273.07885 159.0
[M+H-H2O]+ 217.11295 142.0
[M+HCOO]- 279.11389 174.5
[M+CH3COO]- 293.12954 167.3
[M+Na-2H]- 255.09036 160.6
[M]+ 234.11514 150.4
[M]- 234.11624 150.4
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.