CID 59862326

939043-41-1

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCCC2=C(C1)C=C(C=C2)N
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-8-4-5-11-6-7-13(16)9-12(11)10-17/h6-7,9H,4-5,8,10,16H2,1-3H3
InChIKey
SGTDQRPCUHNRFJ-UHFFFAOYSA-N
Compound name
tert-butyl 8-amino-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

262.16812 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.175396 159.1
[M+Na]+ 285.157338 163.6
[M-H]- 261.160844 162.7
[M+NH4]+ 280.201943 174.4
[M+K]+ 301.131278 165.9
[M+H-H2O]+ 245.165380 152.9
[M+HCOO]- 307.166321 175.5
[M+CH3COO]- 321.181971 199.9
[M+Na-2H]- 283.142786 162.9
[M]+ 262.16757142 154.6
[M]- 262.16866858 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