CID 21873275

1,4-oxazepane

Structural Information

Molecular Formula
C5H11NO
SMILES
C1CNCCOC1
InChI
InChI=1S/C5H11NO/c1-2-6-3-5-7-4-1/h6H,1-5H2
InChIKey
ZNGWEEUXTBNKFR-UHFFFAOYSA-N
Compound name
1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19053
Patents

101.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 114.4
[M+Na]+ 124.073278 117.0
[M-H]- 100.076784 115.9
[M+NH4]+ 119.117883 132.1
[M+K]+ 140.047218 121.3
[M+H-H2O]+ 84.081320 108.5
[M+HCOO]- 146.082261 131.7
[M+CH3COO]- 160.097911 164.2
[M+Na-2H]- 122.058726 122.5
[M]+ 101.08351142 105.8
[M]- 101.08460858 105.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe