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 133.6
[M+Na]+ 184.08451 143.8
[M-H]- 160.08801 133.3
[M+NH4]+ 179.12911 151.8
[M+K]+ 200.05845 138.7
[M+H-H2O]+ 144.09255 120.2
[M+HCOO]- 206.09349 148.5
[M+CH3COO]- 220.10914 144.7
[M+Na-2H]- 182.06996 138.2
[M]+ 161.09474 125.2
[M]- 161.09584 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.