CID 137838043

2137590-97-5

Structural Information

Molecular Formula
C12H21NO2
SMILES
COC1=NCCCCC1C2CCOCC2
InChI
InChI=1S/C12H21NO2/c1-14-12-11(4-2-3-7-13-12)10-5-8-15-9-6-10/h10-11H,2-9H2,1H3
InChIKey
SMOSJIORUHBOMN-UHFFFAOYSA-N
Compound name
7-methoxy-6-(oxan-4-yl)-3,4,5,6-tetrahydro-2H-azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.15723 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.16451 151.2
[M+Na]+ 234.14645 160.4
[M+NH4]+ 229.19105 158.9
[M+K]+ 250.12039 155.8
[M-H]- 210.14995 155.3
[M+Na-2H]- 232.13190 156.4
[M]+ 211.15668 153.6
[M]- 211.15778 153.6
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.