CID 210100

1-(4-pyridyl)indoline

Structural Information

Molecular Formula
C13H12N2
SMILES
C1CN(C2=CC=CC=C21)C3=CC=NC=C3
InChI
InChI=1S/C13H12N2/c1-2-4-13-11(3-1)7-10-15(13)12-5-8-14-9-6-12/h1-6,8-9H,7,10H2
InChIKey
MDTNISUGFOXDPD-UHFFFAOYSA-N
Compound name
1-pyridin-4-yl-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

196.10005 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.107326 141.8
[M+Na]+ 219.089268 150.3
[M-H]- 195.092774 146.7
[M+NH4]+ 214.133873 161.1
[M+K]+ 235.063208 145.9
[M+H-H2O]+ 179.097310 133.3
[M+HCOO]- 241.098251 163.2
[M+CH3COO]- 255.113901 154.8
[M+Na-2H]- 217.074716 149.0
[M]+ 196.09950142 140.1
[M]- 196.10059858 140.1
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