CID 54595224

8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

Structural Information

Molecular Formula
C9H17NO
SMILES
CC1(C(C2C1OCCC2)N)C
InChI
InChI=1S/C9H17NO/c1-9(2)7(10)6-4-3-5-11-8(6)9/h6-8H,3-5,10H2,1-2H3
InChIKey
HAFAIAKOQFPEKK-UHFFFAOYSA-N
Compound name
8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 134.7
[M+Na]+ 178.12023 140.6
[M+NH4]+ 173.16483 141.5
[M+K]+ 194.09417 135.4
[M-H]- 154.12373 135.7
[M+Na-2H]- 176.10568 136.9
[M]+ 155.13046 134.7
[M]- 155.13156 134.7
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.