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]+ 190.06293 130.2
[M+Na]+ 212.04487 135.9
[M-H]- 188.04837 134.3
[M+NH4]+ 207.08947 143.7
[M+K]+ 228.01881 137.7
[M+H-H2O]+ 172.05291 120.5
[M+HCOO]- 234.05385 142.3
[M+CH3COO]- 248.06950 180.8
[M+Na-2H]- 210.03032 137.0
[M]+ 189.05510 136.8
[M]- 189.05620 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.