CID 16227125

17826-24-3

Structural Information

Molecular Formula
C14H17NO3
SMILES
CCCN1C(=C(C2=C1C=CC(=C2)OC)C(=O)O)C
InChI
InChI=1S/C14H17NO3/c1-4-7-15-9(2)13(14(16)17)11-8-10(18-3)5-6-12(11)15/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKey
GTRKZYWTBFQHCT-UHFFFAOYSA-N
Compound name
5-methoxy-2-methyl-1-propylindole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 155.4
[M+Na]+ 270.11007 168.2
[M+NH4]+ 265.15467 162.6
[M+K]+ 286.08401 164.2
[M-H]- 246.11357 156.0
[M+Na-2H]- 268.09552 159.5
[M]+ 247.12030 157.3
[M]- 247.12140 157.3
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.