CID 83668860

2170723-59-6

Structural Information

Molecular Formula
C9H12N2
SMILES
CC1=CC(=NC2=C1CNC2)C
InChI
InChI=1S/C9H12N2/c1-6-3-7(2)11-9-5-10-4-8(6)9/h3,10H,4-5H2,1-2H3
InChIKey
MHKLDRRJNFPTSP-UHFFFAOYSA-N
Compound name
2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

148.10005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 131.3
[M+Na]+ 171.08927 140.7
[M-H]- 147.09277 132.1
[M+NH4]+ 166.13387 152.6
[M+K]+ 187.06321 137.2
[M+H-H2O]+ 131.09731 124.9
[M+HCOO]- 193.09825 151.0
[M+CH3COO]- 207.11390 144.6
[M+Na-2H]- 169.07472 137.1
[M]+ 148.09950 129.3
[M]- 148.10060 129.3
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