CID 82402887

Methyl 4-methyl-1h,2h,3h-pyrrolo[2,3-b]pyridine-5-carboxylate hydrochloride

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 141.5
[M+Na]+ 215.07909 150.2
[M-H]- 191.08259 142.2
[M+NH4]+ 210.12369 160.8
[M+K]+ 231.05303 147.5
[M+H-H2O]+ 175.08713 134.8
[M+HCOO]- 237.08807 160.4
[M+CH3COO]- 251.10372 180.5
[M+Na-2H]- 213.06454 145.6
[M]+ 192.08932 141.2
[M]- 192.09042 141.2
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.