CID 105456006

1780748-32-4

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC(C)C1=CC2=C(C=C(N2)C(=O)O)N=C1
InChI
InChI=1S/C11H12N2O2/c1-6(2)7-3-9-8(12-5-7)4-10(13-9)11(14)15/h3-6,13H,1-2H3,(H,14,15)
InChIKey
KWOPAENCFQSGIE-UHFFFAOYSA-N
Compound name
6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 143.8
[M+Na]+ 227.07909 155.8
[M+NH4]+ 222.12369 150.7
[M+K]+ 243.05303 152.9
[M-H]- 203.08259 143.3
[M+Na-2H]- 225.06454 148.2
[M]+ 204.08932 145.1
[M]- 204.09042 145.1
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.