CID 214174

3,6-dimethyl-3,4-dihydro-2h-1,5-benzoxazocin-3-ol

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC1=NCC(COC2=CC=CC=C12)(C)O
InChI
InChI=1S/C12H15NO2/c1-9-10-5-3-4-6-11(10)15-8-12(2,14)7-13-9/h3-6,14H,7-8H2,1-2H3
InChIKey
LKESLTLVHWUQRM-UHFFFAOYSA-N
Compound name
3,6-dimethyl-2,4-dihydro-1,5-benzoxazocin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 157.3
[M+Na]+ 228.09950 161.6
[M+NH4]+ 223.14410 160.4
[M+K]+ 244.07344 159.6
[M-H]- 204.10300 158.3
[M+Na-2H]- 226.08495 160.0
[M]+ 205.10973 158.2
[M]- 205.11083 158.2
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.