CID 165996974

5-oxa-8-azaspiro[3.5]nonane-8-carbonyl chloride

Structural Information

Molecular Formula
C8H12ClNO2
SMILES
C1CC2(C1)CN(CCO2)C(=O)Cl
InChI
InChI=1S/C8H12ClNO2/c9-7(11)10-4-5-12-8(6-10)2-1-3-8/h1-6H2
InChIKey
BMNIQQJJZWOJKI-UHFFFAOYSA-N
Compound name
5-oxa-8-azaspiro[3.5]nonane-8-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.05565 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.062926 130.2
[M+Na]+ 212.044868 135.9
[M-H]- 188.048374 134.3
[M+NH4]+ 207.089473 143.7
[M+K]+ 228.018808 137.7
[M+H-H2O]+ 172.052910 120.5
[M+HCOO]- 234.053851 142.3
[M+CH3COO]- 248.069501 180.8
[M+Na-2H]- 210.030316 137.0
[M]+ 189.05510142 136.8
[M]- 189.05619858 136.8
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

No patent data available for this compound.