CID 58054167

5-methoxy-2,3,6,7-tetrahydro-1,4-oxazepine

Structural Information

Molecular Formula
C6H11NO2
SMILES
COC1=NCCOCC1
InChI
InChI=1S/C6H11NO2/c1-8-6-2-4-9-5-3-7-6/h2-5H2,1H3
InChIKey
XQICQNFSVCHSCV-UHFFFAOYSA-N
Compound name
5-methoxy-2,3,6,7-tetrahydro-1,4-oxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

129.07898 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 118.7
[M+Na]+ 152.068198 123.4
[M-H]- 128.071704 122.3
[M+NH4]+ 147.112803 136.7
[M+K]+ 168.042138 128.9
[M+H-H2O]+ 112.076240 112.8
[M+HCOO]- 174.077181 138.9
[M+CH3COO]- 188.092831 171.5
[M+Na-2H]- 150.053646 127.3
[M]+ 129.07843142 115.4
[M]- 129.07952858 115.4
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

patents stripe