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]+ 205.097146 143.8
[M+Na]+ 227.079088 153.4
[M-H]- 203.082594 144.0
[M+NH4]+ 222.123693 162.0
[M+K]+ 243.053028 149.6
[M+H-H2O]+ 187.087130 137.5
[M+HCOO]- 249.088071 162.8
[M+CH3COO]- 263.103721 182.0
[M+Na-2H]- 225.064536 147.8
[M]+ 204.08932142 144.5
[M]- 204.09041858 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.