CID 43316536

1-(2-methylpropyl)-1h-indole-4-carboxylic acid

Structural Information

Molecular Formula
C13H15NO2
SMILES
CC(C)CN1C=CC2=C(C=CC=C21)C(=O)O
InChI
InChI=1S/C13H15NO2/c1-9(2)8-14-7-6-10-11(13(15)16)4-3-5-12(10)14/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKey
GLMPHWJHKVSQNE-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)indole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 148.1
[M+Na]+ 240.09950 157.2
[M-H]- 216.10300 150.7
[M+NH4]+ 235.14410 167.9
[M+K]+ 256.07344 154.0
[M+H-H2O]+ 200.10754 142.1
[M+HCOO]- 262.10848 169.3
[M+CH3COO]- 276.12413 187.7
[M+Na-2H]- 238.08495 151.5
[M]+ 217.10973 150.8
[M]- 217.11083 150.8
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.