CID 22487053

3-(1h-indol-3-yl)propanal

Structural Information

Molecular Formula
C11H11NO
SMILES
C1=CC=C2C(=C1)C(=CN2)CCC=O
InChI
InChI=1S/C11H11NO/c13-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-8,12H,3-4H2
InChIKey
OBNFCFYSFICKKX-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

265
Patents

173.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 135.0
[M+Na]+ 196.073278 144.9
[M-H]- 172.076784 137.3
[M+NH4]+ 191.117883 156.5
[M+K]+ 212.047218 140.5
[M+H-H2O]+ 156.081320 129.0
[M+HCOO]- 218.082261 158.7
[M+CH3COO]- 232.097911 176.8
[M+Na-2H]- 194.058726 142.7
[M]+ 173.08351142 136.4
[M]- 173.08460858 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe