CID 139022385

2172596-18-6

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1(COCCC(=N1)OC)C
InChI
InChI=1S/C8H15NO2/c1-8(2)6-11-5-4-7(9-8)10-3/h4-6H2,1-3H3
InChIKey
WSVDANGGBUWKPG-UHFFFAOYSA-N
Compound name
5-methoxy-3,3-dimethyl-6,7-dihydro-2H-1,4-oxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 126.4
[M+Na]+ 180.09950 132.1
[M-H]- 156.10300 130.4
[M+NH4]+ 175.14410 145.6
[M+K]+ 196.07344 137.0
[M+H-H2O]+ 140.10754 120.9
[M+HCOO]- 202.10848 146.0
[M+CH3COO]- 216.12413 177.8
[M+Na-2H]- 178.08495 134.4
[M]+ 157.10973 124.4
[M]- 157.11083 124.4
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

No patent data available for this compound.