CID 43156197

1065100-83-5

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1=CC2=C(NC=C2CO)N=C1
InChI
InChI=1S/C8H8N2O/c11-5-6-4-10-8-7(6)2-1-3-9-8/h1-4,11H,5H2,(H,9,10)
InChIKey
VWPSBHFXPGWHDI-UHFFFAOYSA-N
Compound name
1H-pyrrolo[2,3-b]pyridin-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

57
Patents

148.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 127.6
[M+Na]+ 171.05288 141.0
[M+NH4]+ 166.09748 136.1
[M+K]+ 187.02682 136.6
[M-H]- 147.05638 128.3
[M+Na-2H]- 169.03833 134.3
[M]+ 148.06311 129.6
[M]- 148.06421 129.6
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