CID 12524872

73718-62-4

Structural Information

Molecular Formula
C13H17N
SMILES
CCN1C(=C)C(C2=CC=CC=C21)(C)C
InChI
InChI=1S/C13H17N/c1-5-14-10(2)13(3,4)11-8-6-7-9-12(11)14/h6-9H,2,5H2,1,3-4H3
InChIKey
MWYTVFRHPLPLKF-UHFFFAOYSA-N
Compound name
1-ethyl-3,3-dimethyl-2-methylideneindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

187.1361 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 141.2
[M+Na]+ 210.12532 151.5
[M-H]- 186.12882 145.0
[M+NH4]+ 205.16992 165.4
[M+K]+ 226.09926 147.6
[M+H-H2O]+ 170.13336 135.9
[M+HCOO]- 232.13430 162.7
[M+CH3COO]- 246.14995 185.8
[M+Na-2H]- 208.11077 146.0
[M]+ 187.13555 141.9
[M]- 187.13665 141.9
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