CID 2734629

Indole-7-carboxaldehyde

Structural Information

Molecular Formula
C9H7NO
SMILES
C1=CC2=C(C(=C1)C=O)NC=C2
InChI
InChI=1S/C9H7NO/c11-6-8-3-1-2-7-4-5-10-9(7)8/h1-6,10H
InChIKey
XQVZDADGTFJAFM-UHFFFAOYSA-N
Compound name
1H-indole-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

711
Patents

145.05276 Da
Monoisotopic Mass

2.3
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