CID 20846113

(1s)-1-amino-2-(1h-indol-3-yl)ethanol

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](N)O
InChI
InChI=1S/C10H12N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5,11H2/t10-/m0/s1
InChIKey
WNWJSYYPDDQIQV-JTQLQIEISA-N
Compound name
(1S)-1-amino-2-(1H-indol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

176.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 136.1
[M+Na]+ 199.08418 144.4
[M-H]- 175.08768 136.7
[M+NH4]+ 194.12878 156.0
[M+K]+ 215.05812 140.1
[M+H-H2O]+ 159.09222 130.1
[M+HCOO]- 221.09316 157.8
[M+CH3COO]- 235.10881 177.3
[M+Na-2H]- 197.06963 142.0
[M]+ 176.09441 133.7
[M]- 176.09551 133.7
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