CID 610577

80866-74-6

Structural Information

Molecular Formula
C15H15N
SMILES
C1CC2=CC=CC=C2NCC3=CC=CC=C31
InChI
InChI=1S/C15H15N/c1-2-7-14-11-16-15-8-4-3-6-13(15)10-9-12(14)5-1/h1-8,16H,9-11H2
InChIKey
WMFXVTTVODXHLE-UHFFFAOYSA-N
Compound name
5,6,11,12-tetrahydrobenzo[c][1]benzazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

202
Patents

209.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12773 152.2
[M+Na]+ 232.10967 156.9
[M+NH4]+ 227.15427 155.6
[M+K]+ 248.08361 155.0
[M-H]- 208.11317 153.5
[M+Na-2H]- 230.09512 155.6
[M]+ 209.11990 153.2
[M]- 209.12100 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe