CID 118793

35232-96-3

Structural Information

Molecular Formula
C15H15N
SMILES
CN1CC2=CC=CC=C2C3=CC=CC=C3C1
InChI
InChI=1S/C15H15N/c1-16-10-12-6-2-4-8-14(12)15-9-5-3-7-13(15)11-16/h2-9H,10-11H2,1H3
InChIKey
HPEXVHVTTFAFRF-UHFFFAOYSA-N
Compound name
6-methyl-5,7-dihydrobenzo[d][2]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

209.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12773 144.8
[M+Na]+ 232.10967 158.7
[M+NH4]+ 227.15427 154.7
[M+K]+ 248.08361 151.2
[M-H]- 208.11317 148.9
[M+Na-2H]- 230.09512 152.8
[M]+ 209.11990 148.2
[M]- 209.12100 148.2
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