CID 21345

3-(pyridin-3-ylmethyl)-1h-indole

Structural Information

Molecular Formula
C14H12N2
SMILES
C1=CC=C2C(=C1)C(=CN2)CC3=CN=CC=C3
InChI
InChI=1S/C14H12N2/c1-2-6-14-13(5-1)12(10-16-14)8-11-4-3-7-15-9-11/h1-7,9-10,16H,8H2
InChIKey
ORBYFAFBEOHNKJ-UHFFFAOYSA-N
Compound name
3-(pyridin-3-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

208.10005 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10733 145.4
[M+Na]+ 231.08927 161.7
[M+NH4]+ 226.13387 155.1
[M+K]+ 247.06321 154.4
[M-H]- 207.09277 149.8
[M+Na-2H]- 229.07472 155.8
[M]+ 208.09950 149.1
[M]- 208.10060 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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