CID 735966

2-(2-aminophenyl)indole

Structural Information

Molecular Formula
C14H12N2
SMILES
C1=CC=C2C(=C1)C=C(N2)C3=CC=CC=C3N
InChI
InChI=1S/C14H12N2/c15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1-9,16H,15H2
InChIKey
IAKRGXQCKYFJCB-UHFFFAOYSA-N
Compound name
2-(1H-indol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

351
Patents

208.10005 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.107326 143.5
[M+Na]+ 231.089268 153.3
[M-H]- 207.092774 148.9
[M+NH4]+ 226.133873 162.9
[M+K]+ 247.063208 147.0
[M+H-H2O]+ 191.097310 136.3
[M+HCOO]- 253.098251 167.7
[M+CH3COO]- 267.113901 156.8
[M+Na-2H]- 229.074716 150.7
[M]+ 208.09950142 141.5
[M]- 208.10059858 141.5
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