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

136
Patents

263.15213 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 157.4
[M+Na]+ 286.14135 162.1
[M-H]- 262.14485 160.2
[M+NH4]+ 281.18595 172.5
[M+K]+ 302.11529 164.4
[M+H-H2O]+ 246.14939 151.9
[M+HCOO]- 308.15033 172.2
[M+CH3COO]- 322.16598 195.4
[M+Na-2H]- 284.12680 161.5
[M]+ 263.15158 154.1
[M]- 263.15268 154.1
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

patents stripe