CID 821798

7-ethyl-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C11H11NO
SMILES
CCC1=C2C(=CC=C1)C(=CN2)C=O
InChI
InChI=1S/C11H11NO/c1-2-8-4-3-5-10-9(7-13)6-12-11(8)10/h3-7,12H,2H2,1H3
InChIKey
DKTNMUOPASFCOT-UHFFFAOYSA-N
Compound name
7-ethyl-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

173.08406 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 134.8
[M+Na]+ 196.07328 145.6
[M-H]- 172.07678 137.5
[M+NH4]+ 191.11788 156.6
[M+K]+ 212.04722 141.2
[M+H-H2O]+ 156.08132 129.1
[M+HCOO]- 218.08226 158.5
[M+CH3COO]- 232.09791 177.9
[M+Na-2H]- 194.05873 141.7
[M]+ 173.08351 136.6
[M]- 173.08461 136.6
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