CID 2773435

1h-indole-6-carboxaldehyde

Structural Information

Molecular Formula
C9H7NO
SMILES
C1=CC(=CC2=C1C=CN2)C=O
InChI
InChI=1S/C9H7NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-6,10H
InChIKey
VSPBWOAEHQDXRD-UHFFFAOYSA-N
Compound name
1H-indole-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1328
Patents

145.05276 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.060036 125.5
[M+Na]+ 168.041978 136.3
[M-H]- 144.045484 128.3
[M+NH4]+ 163.086583 148.2
[M+K]+ 184.015918 132.5
[M+H-H2O]+ 128.050020 120.0
[M+HCOO]- 190.050961 150.0
[M+CH3COO]- 204.066611 140.4
[M+Na-2H]- 166.027426 134.3
[M]+ 145.05221142 126.3
[M]- 145.05330858 126.3
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