CID 55280005

7-oxa-1-azaspiro[4.4]nonane

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CC2(CCOC2)NC1
InChI
InChI=1S/C7H13NO/c1-2-7(8-4-1)3-5-9-6-7/h8H,1-6H2
InChIKey
MYBGAQSNYATOKI-UHFFFAOYSA-N
Compound name
7-oxa-1-azaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
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 127.4
[M+Na]+ 150.08894 133.0
[M-H]- 126.09244 130.3
[M+NH4]+ 145.13354 151.3
[M+K]+ 166.06288 132.7
[M+H-H2O]+ 110.09698 122.1
[M+HCOO]- 172.09792 146.3
[M+CH3COO]- 186.11357 140.4
[M+Na-2H]- 148.07439 132.6
[M]+ 127.09917 121.1
[M]- 127.10027 121.1
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