CID 10685

Tryptophol

Structural Information

Molecular Formula
C10H11NO
SMILES
C1=CC=C2C(=C1)C(=CN2)CCO
InChI
InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
InChIKey
MBBOMCVGYCRMEA-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

133
References

2212
Patents

161.08406 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.091336 131.8
[M+Na]+ 184.073278 141.4
[M-H]- 160.076784 132.9
[M+NH4]+ 179.117883 153.1
[M+K]+ 200.047218 136.9
[M+H-H2O]+ 144.081320 126.2
[M+HCOO]- 206.082261 154.1
[M+CH3COO]- 220.097911 145.5
[M+Na-2H]- 182.058726 139.5
[M]+ 161.08351142 131.7
[M]- 161.08460858 131.7
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