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

27
Patents

173.08406 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 134.8
[M+Na]+ 196.073278 145.6
[M-H]- 172.076784 137.5
[M+NH4]+ 191.117883 156.6
[M+K]+ 212.047218 141.2
[M+H-H2O]+ 156.081320 129.1
[M+HCOO]- 218.082261 158.5
[M+CH3COO]- 232.097911 177.9
[M+Na-2H]- 194.058726 141.7
[M]+ 173.08351142 136.6
[M]- 173.08460858 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