CID 6502010

4,5,6,7-tetrahydro-1h-indole-2-carbaldehyde

Structural Information

Molecular Formula
C9H11NO
SMILES
C1CCC2=C(C1)C=C(N2)C=O
InChI
InChI=1S/C9H11NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h5-6,10H,1-4H2
InChIKey
OORNVNMZVOJKQR-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

149.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.5
[M+Na]+ 172.07328 138.1
[M-H]- 148.07678 132.0
[M+NH4]+ 167.11788 152.6
[M+K]+ 188.04722 134.9
[M+H-H2O]+ 132.08132 124.8
[M+HCOO]- 194.08226 150.5
[M+CH3COO]- 208.09791 171.7
[M+Na-2H]- 170.05873 136.2
[M]+ 149.08351 126.8
[M]- 149.08461 126.8
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