CID 12835

5-methoxytryptophol

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC1=CC2=C(C=C1)NC=C2CCO
InChI
InChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3
InChIKey
QLWKTGDEPLRFAT-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1H-indol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

151
References

283
Patents

191.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 139.5
[M+Na]+ 214.08386 149.5
[M-H]- 190.08736 140.8
[M+NH4]+ 209.12846 159.9
[M+K]+ 230.05780 145.4
[M+H-H2O]+ 174.09190 133.8
[M+HCOO]- 236.09284 161.7
[M+CH3COO]- 250.10849 178.3
[M+Na-2H]- 212.06931 146.0
[M]+ 191.09409 141.6
[M]- 191.09519 141.6
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