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

42
Patents

129.07898 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 118.7
[M+Na]+ 152.06820 123.4
[M-H]- 128.07170 122.3
[M+NH4]+ 147.11280 136.7
[M+K]+ 168.04214 128.9
[M+H-H2O]+ 112.07624 112.8
[M+HCOO]- 174.07718 138.9
[M+CH3COO]- 188.09283 171.5
[M+Na-2H]- 150.05365 127.3
[M]+ 129.07843 115.4
[M]- 129.07953 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