CID 13285355

90929-76-3

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1=CC2=C(NC=C2CCO)N=C1
InChI
InChI=1S/C9H10N2O/c12-5-3-7-6-11-9-8(7)2-1-4-10-9/h1-2,4,6,12H,3,5H2,(H,10,11)
InChIKey
MNELAFNGGZMCMI-UHFFFAOYSA-N
Compound name
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

162.07932 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 131.7
[M+Na]+ 185.06854 141.7
[M-H]- 161.07204 131.5
[M+NH4]+ 180.11314 151.6
[M+K]+ 201.04248 137.5
[M+H-H2O]+ 145.07658 125.3
[M+HCOO]- 207.07752 153.1
[M+CH3COO]- 221.09317 145.0
[M+Na-2H]- 183.05399 139.9
[M]+ 162.07877 131.8
[M]- 162.07987 131.8
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