CID 364133

Nsc629804

Structural Information

Molecular Formula
C14H14N2O
SMILES
C1C(C2=CC=CC=C2N1)C(C3=CC=CC=N3)O
InChI
InChI=1S/C14H14N2O/c17-14(13-7-3-4-8-15-13)11-9-16-12-6-2-1-5-10(11)12/h1-8,11,14,16-17H,9H2
InChIKey
AJRCAMUFWULHQV-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indol-3-yl(pyridin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.117886 150.3
[M+Na]+ 249.099828 157.0
[M-H]- 225.103334 152.4
[M+NH4]+ 244.144433 166.8
[M+K]+ 265.073768 151.7
[M+H-H2O]+ 209.107870 142.3
[M+HCOO]- 271.108811 167.5
[M+CH3COO]- 285.124461 161.2
[M+Na-2H]- 247.085276 155.0
[M]+ 226.11006142 146.1
[M]- 226.11115858 146.1
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

No patent data available for this compound.