CID 18388362

1-methyl-1h-indole-7-carboxylic acid

Structural Information

Molecular Formula
C10H9NO2
SMILES
CN1C=CC2=C1C(=CC=C2)C(=O)O
InChI
InChI=1S/C10H9NO2/c1-11-6-5-7-3-2-4-8(9(7)11)10(12)13/h2-6H,1H3,(H,12,13)
InChIKey
DWKIPLIDZYRILV-UHFFFAOYSA-N
Compound name
1-methylindole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

175.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.6
[M+Na]+ 198.05254 144.4
[M-H]- 174.05604 136.6
[M+NH4]+ 193.09714 155.2
[M+K]+ 214.02648 141.4
[M+H-H2O]+ 158.06058 128.0
[M+HCOO]- 220.06152 156.8
[M+CH3COO]- 234.07717 177.8
[M+Na-2H]- 196.03799 139.9
[M]+ 175.06277 135.9
[M]- 175.06387 135.9
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

patents stripe