CID 131607942

2445785-63-5

Structural Information

Molecular Formula
C9H11N3
SMILES
CN1C2=C(CNCC2)C=C1C#N
InChI
InChI=1S/C9H11N3/c1-12-8(5-10)4-7-6-11-3-2-9(7)12/h4,11H,2-3,6H2,1H3
InChIKey
MNHRJMVDJHHMTG-UHFFFAOYSA-N
Compound name
1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.09529 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 133.6
[M+Na]+ 184.084508 143.8
[M-H]- 160.088014 133.3
[M+NH4]+ 179.129113 151.8
[M+K]+ 200.058448 138.7
[M+H-H2O]+ 144.092550 120.2
[M+HCOO]- 206.093491 148.5
[M+CH3COO]- 220.109141 144.7
[M+Na-2H]- 182.069956 138.2
[M]+ 161.09474142 125.2
[M]- 161.09583858 125.2
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

No patent data available for this compound.