CID 23400114

6-methylene-[1,4]oxazepane hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C=C1CNCCOC1
InChI
InChI=1S/C6H11NO/c1-6-4-7-2-3-8-5-6/h7H,1-5H2
InChIKey
CLXANQYKLVSDPR-UHFFFAOYSA-N
Compound name
6-methylidene-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

113.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 117.5
[M+Na]+ 136.073278 121.0
[M-H]- 112.076784 119.4
[M+NH4]+ 131.117883 135.1
[M+K]+ 152.047218 124.6
[M+H-H2O]+ 96.081320 111.8
[M+HCOO]- 158.082261 134.7
[M+CH3COO]- 172.097911 167.2
[M+Na-2H]- 134.058726 124.6
[M]+ 113.08351142 109.1
[M]- 113.08460858 109.1
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.