CID 25202910

1-(1h-indol-3-yl)ethane-1,2-diol

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1=CC=C2C(=C1)C(=CN2)C(CO)O
InChI
InChI=1S/C10H11NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,10-13H,6H2
InChIKey
XNJDZRGYWQBBMZ-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9
Patents

177.07898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 135.9
[M+Na]+ 200.06820 144.6
[M-H]- 176.07170 135.8
[M+NH4]+ 195.11280 155.7
[M+K]+ 216.04214 140.4
[M+H-H2O]+ 160.07624 130.5
[M+HCOO]- 222.07718 155.9
[M+CH3COO]- 236.09283 172.5
[M+Na-2H]- 198.05365 142.0
[M]+ 177.07843 134.8
[M]- 177.07953 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