CID 108271

1,5-ethano-2,3,4,5-tetrahydro-1h-3-benzazepine hydrochloride

Structural Information

Molecular Formula
C12H15N
SMILES
C1CC2CNCC1C3=CC=CC=C23
InChI
InChI=1S/C12H15N/c1-2-4-12-10-6-5-9(7-13-8-10)11(12)3-1/h1-4,9-10,13H,5-8H2
InChIKey
MUOUUQHZFVPQPP-UHFFFAOYSA-N
Compound name
10-azatricyclo[6.3.2.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

173.12045 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 129.5
[M+Na]+ 196.10967 136.1
[M+NH4]+ 191.15427 137.5
[M+K]+ 212.08361 133.3
[M-H]- 172.11317 128.9
[M+Na-2H]- 194.09512 131.0
[M]+ 173.11990 130.3
[M]- 173.12100 130.3
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