CID 137944409

2287316-96-3

Structural Information

Molecular Formula
C7H15NO2
SMILES
COCC1CCOCCN1
InChI
InChI=1S/C7H15NO2/c1-9-6-7-2-4-10-5-3-8-7/h7-8H,2-6H2,1H3
InChIKey
VWOXEYWMBBHQFE-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.11028 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 125.8
[M+Na]+ 168.09950 128.5
[M-H]- 144.10300 127.4
[M+NH4]+ 163.14410 142.2
[M+K]+ 184.07344 133.0
[M+H-H2O]+ 128.10754 119.6
[M+HCOO]- 190.10848 142.7
[M+CH3COO]- 204.12413 172.8
[M+Na-2H]- 166.08495 132.3
[M]+ 145.10973 119.7
[M]- 145.11083 119.7
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.