CID 2727870

1-cyclopropyl-5-methoxy-2-methyl-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C14H15NO3
SMILES
CC1=C(C2=C(N1C3CC3)C=CC(=C2)OC)C(=O)O
InChI
InChI=1S/C14H15NO3/c1-8-13(14(16)17)11-7-10(18-2)5-6-12(11)15(8)9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H,16,17)
InChIKey
RJZHKBSIYHHOMB-UHFFFAOYSA-N
Compound name
1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1052 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 155.9
[M+Na]+ 268.09442 170.4
[M+NH4]+ 263.13902 164.2
[M+K]+ 284.06836 167.6
[M-H]- 244.09792 165.0
[M+Na-2H]- 266.07987 163.7
[M]+ 245.10465 161.6
[M]- 245.10575 161.6
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.