CID 18958292

(1h-pyrrolo[3,2-b]pyridin-2-yl)methanol

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1=CC2=C(C=C(N2)CO)N=C1
InChI
InChI=1S/C8H8N2O/c11-5-6-4-8-7(10-6)2-1-3-9-8/h1-4,10-11H,5H2
InChIKey
NASWAERXWIHATE-UHFFFAOYSA-N
Compound name
1H-pyrrolo[3,2-b]pyridin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

148.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 127.1
[M+Na]+ 171.05288 137.6
[M-H]- 147.05638 127.1
[M+NH4]+ 166.09748 147.6
[M+K]+ 187.02682 133.5
[M+H-H2O]+ 131.06092 120.9
[M+HCOO]- 193.06186 148.8
[M+CH3COO]- 207.07751 140.9
[M+Na-2H]- 169.03833 135.8
[M]+ 148.06311 126.8
[M]- 148.06421 126.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe