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 145.4
[M+Na]+ 234.14645 147.1
[M-H]- 210.14995 150.7
[M+NH4]+ 229.19105 159.8
[M+K]+ 250.12039 150.7
[M+H-H2O]+ 194.15449 137.9
[M+HCOO]- 256.15543 160.9
[M+CH3COO]- 270.17108 186.5
[M+Na-2H]- 232.13190 149.3
[M]+ 211.15668 137.9
[M]- 211.15778 137.9
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.