CID 278903

1-benzyl-1h-pyrrolo[2,3-c]pyridine hydrochloride

Structural Information

Molecular Formula
C14H12N2
SMILES
C1=CC=C(C=C1)CN2C=CC3=C2C=NC=C3
InChI
InChI=1S/C14H12N2/c1-2-4-12(5-3-1)11-16-9-7-13-6-8-15-10-14(13)16/h1-10H,11H2
InChIKey
AOQSUUHHVCRJQF-UHFFFAOYSA-N
Compound name
1-benzylpyrrolo[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

208.10005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.107326 144.2
[M+Na]+ 231.089268 154.3
[M-H]- 207.092774 149.6
[M+NH4]+ 226.133873 163.1
[M+K]+ 247.063208 149.1
[M+H-H2O]+ 191.097310 135.6
[M+HCOO]- 253.098251 168.0
[M+CH3COO]- 267.113901 157.8
[M+Na-2H]- 229.074716 152.8
[M]+ 208.09950142 145.6
[M]- 208.10059858 145.6
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