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]+ 193.097146 141.5
[M+Na]+ 215.079088 150.2
[M-H]- 191.082594 142.2
[M+NH4]+ 210.123693 160.8
[M+K]+ 231.053028 147.5
[M+H-H2O]+ 175.087130 134.8
[M+HCOO]- 237.088071 160.4
[M+CH3COO]- 251.103721 180.5
[M+Na-2H]- 213.064536 145.6
[M]+ 192.08932142 141.2
[M]- 192.09041858 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.