CID 138039819

2241127-88-6

Structural Information

Molecular Formula
C10H17NO2
SMILES
CC12CC(C1)(C3(O2)CCOCC3)N
InChI
InChI=1S/C10H17NO2/c1-8-6-9(11,7-8)10(13-8)2-4-12-5-3-10/h2-7,11H2,1H3
InChIKey
PESPDKAUUZKSQW-UHFFFAOYSA-N
Compound name
1-methylspiro[2-oxabicyclo[2.1.1]hexane-3,4'-oxane]-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.12593 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 138.9
[M+Na]+ 206.11515 144.4
[M-H]- 182.11865 143.4
[M+NH4]+ 201.15975 161.8
[M+K]+ 222.08909 146.6
[M+H-H2O]+ 166.12319 132.6
[M+HCOO]- 228.12413 153.3
[M+CH3COO]- 242.13978 151.4
[M+Na-2H]- 204.10060 148.6
[M]+ 183.12538 148.6
[M]- 183.12648 148.6
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.