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 153.3
[M+Na]+ 250.15662 161.9
[M-H]- 226.16012 158.2
[M+NH4]+ 245.20122 168.3
[M+K]+ 266.13056 156.9
[M+H-H2O]+ 210.16466 151.8
[M+HCOO]- 272.16560 164.1
[M+CH3COO]- 286.18125 162.6
[M+Na-2H]- 248.14207 161.8
[M]+ 227.16685 153.1
[M]- 227.16795 153.1
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.