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]+ 146.117556 125.8
[M+Na]+ 168.099498 128.5
[M-H]- 144.103004 127.4
[M+NH4]+ 163.144103 142.2
[M+K]+ 184.073438 133.0
[M+H-H2O]+ 128.107540 119.6
[M+HCOO]- 190.108481 142.7
[M+CH3COO]- 204.124131 172.8
[M+Na-2H]- 166.084946 132.3
[M]+ 145.10973142 119.7
[M]- 145.11082858 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.