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 156.0
[M+Na]+ 228.09950 161.7
[M-H]- 204.10300 157.6
[M+NH4]+ 223.14410 164.6
[M+K]+ 244.07344 161.8
[M+H-H2O]+ 188.10754 152.1
[M+HCOO]- 250.10848 164.1
[M+CH3COO]- 264.12413 160.9
[M+Na-2H]- 226.08495 157.4
[M]+ 205.10973 155.9
[M]- 205.11083 155.9
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.