CID 24865142

1022915-31-6

Structural Information

Molecular Formula
C12H17NO2
SMILES
C1COC[C@@H](CN1CC2=CC=CC=C2)O
InChI
InChI=1S/C12H17NO2/c14-12-9-13(6-7-15-10-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1
InChIKey
SQZLCDHCXXQFNQ-GFCCVEGCSA-N
Compound name
(6R)-4-benzyl-1,4-oxazepan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 148.1
[M+Na]+ 230.11515 158.5
[M+NH4]+ 225.15975 155.5
[M+K]+ 246.08909 153.8
[M-H]- 206.11865 152.1
[M+Na-2H]- 228.10060 154.5
[M]+ 207.12538 150.7
[M]- 207.12648 150.7
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.