CID 55279773

6-oxa-1-azaspiro[3.5]nonane hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CC2(CCN2)COC1
InChI
InChI=1S/C7H13NO/c1-2-7(3-4-8-7)6-9-5-1/h8H,1-6H2
InChIKey
YLIPWBZIBAGXLT-UHFFFAOYSA-N
Compound name
8-oxa-1-azaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

127.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 121.0
[M+Na]+ 150.08894 125.1
[M-H]- 126.09244 123.9
[M+NH4]+ 145.13354 135.3
[M+K]+ 166.06288 127.9
[M+H-H2O]+ 110.09698 110.8
[M+HCOO]- 172.09792 137.0
[M+CH3COO]- 186.11357 169.2
[M+Na-2H]- 148.07439 130.0
[M]+ 127.09917 123.3
[M]- 127.10027 123.3
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