CID 129981535

1824100-89-1

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C(C1)N
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-9-8-11-6-4-5-7-12(11)13(16)10-17/h4-7,13H,8-10,16H2,1-3H3
InChIKey
WXWZOYRCBXCPMU-UHFFFAOYSA-N
Compound name
tert-butyl 5-amino-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.16812 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 159.1
[M+Na]+ 285.15734 163.6
[M-H]- 261.16084 162.7
[M+NH4]+ 280.20194 174.4
[M+K]+ 301.13128 165.9
[M+H-H2O]+ 245.16538 152.9
[M+HCOO]- 307.16632 175.5
[M+CH3COO]- 321.18197 199.9
[M+Na-2H]- 283.14279 162.9
[M]+ 262.16757 154.6
[M]- 262.16867 154.6
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

patents stripe