CID 34066

Brn 4915253

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC(C)C1=NCC(COC2=CC=CC=C21)O
InChI
InChI=1S/C13H17NO2/c1-9(2)13-11-5-3-4-6-12(11)16-8-10(15)7-14-13/h3-6,9-10,15H,7-8H2,1-2H3
InChIKey
RUHUOIYIOUUNCU-UHFFFAOYSA-N
Compound name
6-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 153.8
[M+Na]+ 242.11515 158.8
[M-H]- 218.11865 155.1
[M+NH4]+ 237.15975 161.3
[M+K]+ 258.08909 158.9
[M+H-H2O]+ 202.12319 149.8
[M+HCOO]- 264.12413 161.4
[M+CH3COO]- 278.13978 158.5
[M+Na-2H]- 240.10060 154.4
[M]+ 219.12538 153.5
[M]- 219.12648 153.5
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.