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 142.0
[M+Na]+ 224.06820 152.2
[M-H]- 200.07170 144.7
[M+NH4]+ 219.11280 162.4
[M+K]+ 240.04214 148.0
[M+H-H2O]+ 184.07624 136.0
[M+HCOO]- 246.07718 164.7
[M+CH3COO]- 260.09283 183.0
[M+Na-2H]- 222.05365 147.2
[M]+ 201.07843 144.2
[M]- 201.07953 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