CID 71757799

5-propoxy-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C12H13NO2
SMILES
CCCOC1=CC2=C(C=C1)NC=C2C=O
InChI
InChI=1S/C12H13NO2/c1-2-5-15-10-3-4-12-11(6-10)9(8-14)7-13-12/h3-4,6-8,13H,2,5H2,1H3
InChIKey
DTRQFJTZGXGSEX-UHFFFAOYSA-N
Compound name
5-propoxy-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.09464 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 142.7
[M+Na]+ 226.08386 152.9
[M-H]- 202.08736 145.2
[M+NH4]+ 221.12846 163.2
[M+K]+ 242.05780 148.8
[M+H-H2O]+ 186.09190 136.5
[M+HCOO]- 248.09284 166.2
[M+CH3COO]- 262.10849 183.0
[M+Na-2H]- 224.06931 149.1
[M]+ 203.09409 146.3
[M]- 203.09519 146.3
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

No patent data available for this compound.