CID 21300217

1823891-04-8

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

CC1(CNC2=C1C=CN=C2)C

InChI

InChI=1S/C9H12N2/c1-9(2)6-11-8-5-10-4-3-7(8)9/h3-5,11H,6H2,1-2H3

InChIKey

YBZWRGDVFXRRDK-UHFFFAOYSA-N

Compound name

3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 148.10005 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	149.10733	131.4
[M+Na]+	171.08927	143.9
[M+NH4]+	166.13387	142.0
[M+K]+	187.06321	137.1
[M-H]-	147.09277	132.7
[M+Na-2H]-	169.07472	138.6
[M]+	148.09950	133.6
[M]-	148.10060	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe