CID 177801756

7-bromo-5-oxa-2-azaspiro[3.4]octane hydrochloride

Structural Information

Molecular Formula
C6H10BrNO
SMILES
C1C(COC12CNC2)Br
InChI
InChI=1S/C6H10BrNO/c7-5-1-6(9-2-5)3-8-4-6/h5,8H,1-4H2
InChIKey
FHZYYRZQEQWWEQ-UHFFFAOYSA-N
Compound name
7-bromo-5-oxa-2-azaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.99458 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.001856 123.3
[M+Na]+ 213.983798 132.7
[M-H]- 189.987304 129.5
[M+NH4]+ 209.028403 141.1
[M+K]+ 229.957738 126.7
[M+H-H2O]+ 173.991840 120.8
[M+HCOO]- 235.992781 139.9
[M+CH3COO]- 250.008431 177.8
[M+Na-2H]- 211.969246 132.1
[M]+ 190.99403142 145.7
[M]- 190.99512858 145.7
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.