CID 18173274

149354-10-9

Structural Information

Molecular Formula

C₁₅H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)C=C(C=C2)O

InChI

InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-8-6-11-4-5-13(17)10-12(11)7-9-16/h4-5,10,17H,6-9H2,1-3H3

InChIKey

CUVFQINKSGIQML-UHFFFAOYSA-N

Compound name

tert-butyl 7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 263.15213 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.159406	157.4
[M+Na]+	286.141348	162.1
[M-H]-	262.144854	160.2
[M+NH4]+	281.185953	172.5
[M+K]+	302.115288	164.4
[M+H-H2O]+	246.149390	151.9
[M+HCOO]-	308.150331	172.2
[M+CH3COO]-	322.165981	195.4
[M+Na-2H]-	284.126796	161.5
[M]+	263.15158142	154.1
[M]-	263.15267858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe