CID 77385508

6-amino-1,4-oxazepan-5-one hydrochloride

Structural Information

Molecular Formula
C5H10N2O2
SMILES
C1COCC(C(=O)N1)N
InChI
InChI=1S/C5H10N2O2/c6-4-3-9-2-1-7-5(4)8/h4H,1-3,6H2,(H,7,8)
InChIKey
WRUMOCUMNFEQKU-UHFFFAOYSA-N
Compound name
6-amino-1,4-oxazepan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

130.07423 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08151 121.6
[M+Na]+ 153.06345 125.5
[M-H]- 129.06695 123.4
[M+NH4]+ 148.10805 138.2
[M+K]+ 169.03739 129.8
[M+H-H2O]+ 113.07149 115.1
[M+HCOO]- 175.07243 139.6
[M+CH3COO]- 189.08808 171.3
[M+Na-2H]- 151.04890 127.5
[M]+ 130.07368 112.8
[M]- 130.07478 112.8
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

patents stripe