CID 12132974

422312-00-3

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

C1CC2=C(C1)NC3=C2C=CC=C3C(=O)O

InChI

InChI=1S/C12H11NO2/c14-12(15)9-5-1-4-8-7-3-2-6-10(7)13-11(8)9/h1,4-5,13H,2-3,6H2,(H,14,15)

InChIKey

KUCYGAINBAZNHN-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 201.07898 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	202.08626	142.4
[M+Na]+	224.06820	152.0
[M-H]-	200.07170	144.9
[M+NH4]+	219.11280	164.8
[M+K]+	240.04214	147.5
[M+H-H2O]+	184.07624	137.5
[M+HCOO]-	246.07718	162.6
[M+CH3COO]-	260.09283	155.6
[M+Na-2H]-	222.05365	146.4
[M]+	201.07843	141.8
[M]-	201.07953	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe