CID 21887570

42025-45-6

Structural Information

Molecular Formula
C12H15N
SMILES
C1CC2CCNC3=CC=CC(=C23)C1
InChI
InChI=1S/C12H15N/c1-3-9-5-2-6-11-12(9)10(4-1)7-8-13-11/h2,5-6,10,13H,1,3-4,7-8H2
InChIKey
MOKQEVNZBIAXIF-UHFFFAOYSA-N
Compound name
2,3,3a,4,5,6-hexahydro-1H-benzo[de]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

173.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 137.7
[M+Na]+ 196.10967 151.0
[M+NH4]+ 191.15427 148.7
[M+K]+ 212.08361 142.5
[M-H]- 172.11317 140.9
[M+Na-2H]- 194.09512 143.3
[M]+ 173.11990 140.5
[M]- 173.12100 140.5
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

patents stripe