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]+ 188.143376 142.0
[M+Na]+ 210.125318 147.7
[M-H]- 186.128824 142.9
[M+NH4]+ 205.169923 162.0
[M+K]+ 226.099258 143.1
[M+H-H2O]+ 170.133360 135.0
[M+HCOO]- 232.134301 156.3
[M+CH3COO]- 246.149951 153.0
[M+Na-2H]- 208.110766 148.8
[M]+ 187.13555142 136.2
[M]- 187.13664858 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.