CID 68069295

6-(prop-1-en-2-yl)-1h-indole

Structural Information

Molecular Formula

C₁₁H₁₁N

SMILES

CC(=C)C1=CC2=C(C=C1)C=CN2

InChI

InChI=1S/C11H11N/c1-8(2)10-4-3-9-5-6-12-11(9)7-10/h3-7,12H,1H2,2H3

InChIKey

QIBSTGKMRGBTGS-UHFFFAOYSA-N

Compound name

6-prop-1-en-2-yl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 157.08914 Da
Monoisotopic Mass: 4.4
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]+	158.096416	132.2
[M+Na]+	180.078358	141.8
[M-H]-	156.081864	134.7
[M+NH4]+	175.122963	154.3
[M+K]+	196.052298	137.4
[M+H-H2O]+	140.086400	126.5
[M+HCOO]-	202.087341	154.7
[M+CH3COO]-	216.102991	146.2
[M+Na-2H]-	178.063806	138.6
[M]+	157.08859142	131.6
[M]-	157.08968858	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe