CID 4672789

6-(1h-indol-3-yl)hexanoic acid

Structural Information

Molecular Formula
C14H17NO2
SMILES
C1=CC=C2C(=C1)C(=CN2)CCCCCC(=O)O
InChI
InChI=1S/C14H17NO2/c16-14(17)9-3-1-2-6-11-10-15-13-8-5-4-7-12(11)13/h4-5,7-8,10,15H,1-3,6,9H2,(H,16,17)
InChIKey
MDAWQYLSKUSBQG-UHFFFAOYSA-N
Compound name
6-(1H-indol-3-yl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

231.12593 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 153.3
[M+Na]+ 254.11515 164.9
[M+NH4]+ 249.15975 160.7
[M+K]+ 270.08909 160.0
[M-H]- 230.11865 153.7
[M+Na-2H]- 252.10060 157.9
[M]+ 231.12538 154.9
[M]- 231.12648 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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