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]+ 158.117556 126.4
[M+Na]+ 180.099498 132.1
[M-H]- 156.103004 130.4
[M+NH4]+ 175.144103 145.6
[M+K]+ 196.073438 137.0
[M+H-H2O]+ 140.107540 120.9
[M+HCOO]- 202.108481 146.0
[M+CH3COO]- 216.124131 177.8
[M+Na-2H]- 178.084946 134.4
[M]+ 157.10973142 124.4
[M]- 157.11082858 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.