CID 12519118

2-(2,3-dihydro-1h-indol-1-yl)aniline hydrochloride

Structural Information

Molecular Formula
C14H14N2
SMILES
C1CN(C2=CC=CC=C21)C3=CC=CC=C3N
InChI
InChI=1S/C14H14N2/c15-12-6-2-4-8-14(12)16-10-9-11-5-1-3-7-13(11)16/h1-8H,9-10,15H2
InChIKey
FTCUPLCIWYYZLT-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroindol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

210.11569 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.122966 145.6
[M+Na]+ 233.104908 153.7
[M-H]- 209.108414 151.6
[M+NH4]+ 228.149513 165.4
[M+K]+ 249.078848 148.7
[M+H-H2O]+ 193.112950 138.0
[M+HCOO]- 255.113891 168.4
[M+CH3COO]- 269.129541 158.5
[M+Na-2H]- 231.090356 151.2
[M]+ 210.11514142 142.5
[M]- 210.11623858 142.5
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