CID 74688

1892-21-3

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1=CC2=C(C=C1O)C(=CN2)CC=O
InChI
InChI=1S/C10H9NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,4-6,11,13H,3H2
InChIKey
OBFAPCIUSYHFIE-UHFFFAOYSA-N
Compound name
2-(5-hydroxy-1H-indol-3-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

294
Patents

175.06332 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.8
[M+Na]+ 198.05254 144.5
[M-H]- 174.05604 135.3
[M+NH4]+ 193.09714 154.7
[M+K]+ 214.02648 140.0
[M+H-H2O]+ 158.06058 128.3
[M+HCOO]- 220.06152 156.5
[M+CH3COO]- 234.07717 174.4
[M+Na-2H]- 196.03799 140.8
[M]+ 175.06277 134.8
[M]- 175.06387 134.8
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