CID 800

2-(1h-indol-3-yl)acetaldehyde

Structural Information

Molecular Formula
C10H9NO
SMILES
C1=CC=C2C(=C1)C(=CN2)CC=O
InChI
InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2
InChIKey
WHOOUMGHGSPMGR-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

60
References

2213
Patents

159.06842 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 130.3
[M+Na]+ 182.05764 140.6
[M-H]- 158.06114 132.8
[M+NH4]+ 177.10224 152.3
[M+K]+ 198.03158 136.5
[M+H-H2O]+ 142.06568 124.5
[M+HCOO]- 204.06662 154.4
[M+CH3COO]- 218.08227 144.7
[M+Na-2H]- 180.04309 138.5
[M]+ 159.06787 131.4
[M]- 159.06897 131.4
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