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]+ 227.11789 150.3
[M+Na]+ 249.09983 157.0
[M-H]- 225.10333 152.4
[M+NH4]+ 244.14443 166.8
[M+K]+ 265.07377 151.7
[M+H-H2O]+ 209.10787 142.3
[M+HCOO]- 271.10881 167.5
[M+CH3COO]- 285.12446 161.2
[M+Na-2H]- 247.08528 155.0
[M]+ 226.11006 146.1
[M]- 226.11116 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.