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]+ 202.086256 142.0
[M+Na]+ 224.068198 152.2
[M-H]- 200.071704 144.7
[M+NH4]+ 219.112803 162.4
[M+K]+ 240.042138 148.0
[M+H-H2O]+ 184.076240 136.0
[M+HCOO]- 246.077181 164.7
[M+CH3COO]- 260.092831 183.0
[M+Na-2H]- 222.053646 147.2
[M]+ 201.07843142 144.2
[M]- 201.07952858 144.2
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