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 142.0
[M+Na]+ 210.12532 147.7
[M-H]- 186.12882 142.9
[M+NH4]+ 205.16992 162.0
[M+K]+ 226.09926 143.1
[M+H-H2O]+ 170.13336 135.0
[M+HCOO]- 232.13430 156.3
[M+CH3COO]- 246.14995 153.0
[M+Na-2H]- 208.11077 148.8
[M]+ 187.13555 136.2
[M]- 187.13665 136.2
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.