CID 28599882

1-(prop-2-en-1-yl)-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C12H11NO2
SMILES
C=CCN1C=C(C2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C12H11NO2/c1-2-7-13-8-10(12(14)15)9-5-3-4-6-11(9)13/h2-6,8H,1,7H2,(H,14,15)
InChIKey
NBSNSQJYXCXGLK-UHFFFAOYSA-N
Compound name
1-prop-2-enylindole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

201.07898 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 142.8
[M+Na]+ 224.06820 155.8
[M+NH4]+ 219.11280 150.6
[M+K]+ 240.04214 151.2
[M-H]- 200.07170 143.5
[M+Na-2H]- 222.05365 148.2
[M]+ 201.07843 144.7
[M]- 201.07953 144.7
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

patents stripe