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 154.8
[M+Na]+ 270.11007 165.4
[M-H]- 246.11357 157.8
[M+NH4]+ 265.15467 173.9
[M+K]+ 286.08401 162.1
[M+H-H2O]+ 230.11811 148.8
[M+HCOO]- 292.11905 176.7
[M+CH3COO]- 306.13470 194.4
[M+Na-2H]- 268.09552 157.6
[M]+ 247.12030 160.7
[M]- 247.12140 160.7
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.