CID 13501489

102147-04-6

Structural Information

Molecular Formula
C13H17N
SMILES
CC1C2=CC=CC3=C2C(CCC3)CN1
InChI
InChI=1S/C13H17N/c1-9-12-7-3-5-10-4-2-6-11(8-14-9)13(10)12/h3,5,7,9,11,14H,2,4,6,8H2,1H3
InChIKey
QJGIOFWGJJAGIW-UHFFFAOYSA-N
Compound name
1-methyl-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 141.9
[M+Na]+ 210.12532 155.4
[M+NH4]+ 205.16992 152.8
[M+K]+ 226.09926 146.9
[M-H]- 186.12882 145.2
[M+Na-2H]- 208.11077 147.1
[M]+ 187.13555 144.8
[M]- 187.13665 144.8
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.