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

108
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 145.1
[M+Na]+ 196.10967 153.2
[M-H]- 172.11317 146.8
[M+NH4]+ 191.15427 165.5
[M+K]+ 212.08361 148.9
[M+H-H2O]+ 156.11771 145.3
[M+HCOO]- 218.11865 156.2
[M+CH3COO]- 232.13430 155.2
[M+Na-2H]- 194.09512 155.7
[M]+ 173.11990 141.9
[M]- 173.12100 141.9
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