CID 82402887

2460749-99-7

Structural Information

Molecular Formula
C10H12N2O2
SMILES
CC1=C2CCNC2=NC=C1C(=O)OC
InChI
InChI=1S/C10H12N2O2/c1-6-7-3-4-11-9(7)12-5-8(6)10(13)14-2/h5H,3-4H2,1-2H3,(H,11,12)
InChIKey
GSPSKAHLDXCLGK-UHFFFAOYSA-N
Compound name
methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 141.6
[M+Na]+ 215.07909 152.9
[M+NH4]+ 210.12369 149.1
[M+K]+ 231.05303 149.6
[M-H]- 191.08259 141.5
[M+Na-2H]- 213.06454 145.4
[M]+ 192.08932 142.9
[M]- 192.09042 142.9
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.