CID 22975593

1-oxa-9-azaspiro[5.5]undecane hydrochloride

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CCOC2(C1)CCNCC2
InChI
InChI=1S/C9H17NO/c1-2-8-11-9(3-1)4-6-10-7-5-9/h10H,1-8H2
InChIKey
XYKVTIPFANKIPK-UHFFFAOYSA-N
Compound name
1-oxa-9-azaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

155.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 135.7
[M+Na]+ 178.120228 138.5
[M-H]- 154.123734 137.6
[M+NH4]+ 173.164833 154.8
[M+K]+ 194.094168 137.8
[M+H-H2O]+ 138.128270 128.9
[M+HCOO]- 200.129211 149.5
[M+CH3COO]- 214.144861 146.4
[M+Na-2H]- 176.105676 142.9
[M]+ 155.13046142 125.7
[M]- 155.13155858 125.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe