CID 67218699

7546-52-3

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC1=C(C2=C(N1)N=CC=C2)CC(=O)OC
InChI
InChI=1S/C11H12N2O2/c1-7-9(6-10(14)15-2)8-4-3-5-12-11(8)13-7/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
YNBGGUBQXVTLST-UHFFFAOYSA-N
Compound name
methyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

204.08987 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 143.3
[M+Na]+ 227.07909 153.7
[M-H]- 203.08259 144.7
[M+NH4]+ 222.12369 162.4
[M+K]+ 243.05303 150.3
[M+H-H2O]+ 187.08713 136.5
[M+HCOO]- 249.08807 164.9
[M+CH3COO]- 263.10372 182.9
[M+Na-2H]- 225.06454 148.9
[M]+ 204.08932 146.4
[M]- 204.09042 146.4
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.