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

1
Patents

208.10005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10733 144.2
[M+Na]+ 231.08927 154.3
[M-H]- 207.09277 149.6
[M+NH4]+ 226.13387 163.1
[M+K]+ 247.06321 149.1
[M+H-H2O]+ 191.09731 135.6
[M+HCOO]- 253.09825 168.0
[M+CH3COO]- 267.11390 157.8
[M+Na-2H]- 229.07472 152.8
[M]+ 208.09950 145.6
[M]- 208.10060 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