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 153.4
[M-H]- 203.08259 144.0
[M+NH4]+ 222.12369 162.0
[M+K]+ 243.05303 149.6
[M+H-H2O]+ 187.08713 137.5
[M+HCOO]- 249.08807 162.8
[M+CH3COO]- 263.10372 182.0
[M+Na-2H]- 225.06454 147.8
[M]+ 204.08932 144.5
[M]- 204.09042 144.5
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.