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]+ 192.00186 123.3
[M+Na]+ 213.98380 132.7
[M-H]- 189.98730 129.5
[M+NH4]+ 209.02840 141.1
[M+K]+ 229.95774 126.7
[M+H-H2O]+ 173.99184 120.8
[M+HCOO]- 235.99278 139.9
[M+CH3COO]- 250.00843 177.8
[M+Na-2H]- 211.96925 132.1
[M]+ 190.99403 145.7
[M]- 190.99513 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.