CID 78895

5227-71-4

Structural Information

Molecular Formula
C17H17N
SMILES
CC1(C(=C)N(C2=CC=CC=C21)C3=CC=CC=C3)C
InChI
InChI=1S/C17H17N/c1-13-17(2,3)15-11-7-8-12-16(15)18(13)14-9-5-4-6-10-14/h4-12H,1H2,2-3H3
InChIKey
USVYORQGMLXJTN-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-methylidene-1-phenylindole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

235.1361 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14338 154.4
[M+Na]+ 258.12532 164.4
[M-H]- 234.12882 161.3
[M+NH4]+ 253.16992 176.1
[M+K]+ 274.09926 158.7
[M+H-H2O]+ 218.13336 147.1
[M+HCOO]- 280.13430 176.0
[M+CH3COO]- 294.14995 167.7
[M+Na-2H]- 256.11077 159.0
[M]+ 235.13555 153.9
[M]- 235.13665 153.9
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