CID 108279

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

Structural Information

Molecular Formula
C16H21N
SMILES
C1CC1CN2CC3CCC(C2)C4=CC=CC=C34
InChI
InChI=1S/C16H21N/c1-2-4-16-14-8-7-13(15(16)3-1)10-17(11-14)9-12-5-6-12/h1-4,12-14H,5-11H2
InChIKey
FXSHIPIPZZCUQE-UHFFFAOYSA-N
Compound name
10-(cyclopropylmethyl)-10-azatricyclo[6.3.2.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.1674 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.17468 143.5
[M+Na]+ 250.15662 151.7
[M+NH4]+ 245.20122 151.9
[M+K]+ 266.13056 148.9
[M-H]- 226.16012 149.0
[M+Na-2H]- 248.14207 147.1
[M]+ 227.16685 147.1
[M]- 227.16795 147.1
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

No patent data available for this compound.