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]+ 162.10257 137.9
[M+Na]+ 184.08451 149.0
[M+NH4]+ 179.12911 143.0
[M+K]+ 200.05845 141.2
[M-H]- 160.08801 131.5
[M+Na-2H]- 182.06996 139.8
[M]+ 161.09474 136.7
[M]- 161.09584 136.7
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.