CID 3046883

62819-62-9

Structural Information

Molecular Formula
C13H17N
SMILES
CCNC1CCC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H17N/c1-2-14-13-9-7-11-5-3-4-6-12(11)8-10-13/h3-7,9,13-14H,2,8,10H2,1H3
InChIKey
KMCBZBOSHNBCSY-UHFFFAOYSA-N
Compound name
N-ethyl-8,9-dihydro-7H-benzo[7]annulen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

187.1361 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 139.8
[M+Na]+ 210.12532 150.9
[M+NH4]+ 205.16992 149.2
[M+K]+ 226.09926 144.5
[M-H]- 186.12882 143.9
[M+Na-2H]- 208.11077 147.4
[M]+ 187.13555 142.7
[M]- 187.13665 142.7
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.