CID 210102

Indoline, 1-(2-pyridylmethyl)-

Structural Information

Molecular Formula
C14H14N2
SMILES
C1CN(C2=CC=CC=C21)CC3=CC=CC=N3
InChI
InChI=1S/C14H14N2/c1-2-7-14-12(5-1)8-10-16(14)11-13-6-3-4-9-15-13/h1-7,9H,8,10-11H2
InChIKey
UAWFLZRAYRXAPI-UHFFFAOYSA-N
Compound name
1-(pyridin-2-ylmethyl)-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

210.11569 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.122966 146.5
[M+Na]+ 233.104908 154.5
[M-H]- 209.108414 151.1
[M+NH4]+ 228.149513 165.1
[M+K]+ 249.078848 149.8
[M+H-H2O]+ 193.112950 137.7
[M+HCOO]- 255.113891 167.5
[M+CH3COO]- 269.129541 159.0
[M+Na-2H]- 231.090356 153.0
[M]+ 210.11514142 145.0
[M]- 210.11623858 145.0
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